Etoprine

Etoprine

SCHEMBL3919

CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.70
HEXA P06865 2/20 0.70
HEXB P07686 2/20 0.70
MEN1 O00255 1/20 0.70
SLC22A1 O15245 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
HTR2A P28223 1/20 0.70
ADRA1A P35348 1/20 0.70
HTR2B P41595 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KMT2A Q03164 1/20 0.70
PDE4D Q08499 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8903514 0.90 DHFR (0.68) DHFRHEXAHEXBMEN1SLC22A1
SCHEMBL10995571 0.90 HEXA (0.68) DHFRHEXAHEXBMEN1SLC22A1
SCHEMBL6049470 0.84 CYP1A2 (0.57) DHFRHEXAHEXBMEN1SLC22A1
Pyrimethamine SCHEMBL25129 0.83 HEXA (1.00) DHFRHEXAHEXBMEN1SLC22A1
Pyrimethamine SCHEMBL15516970 0.83 HEXA (1.00) DHFRHEXAHEXBMEN1SLC22A1
Pyrimethamine SCHEMBL29381161 0.83 HEXA (1.00) DHFRHEXAHEXBMEN1SLC22A1
SCHEMBL6359292 0.82 NCOA1 (1.00) CYP2D6NCOA1NCOA3
SCHEMBL3636780 0.81 REN (1.00) DHFRHEXAHEXBMEN1SLC22A1
Pyrimethamine SCHEMBL8086889 0.81 HEXA (0.97) DHFRHEXAHEXBMEN1SLC22A1
Pyrimethamine SCHEMBL11709944 0.81 HEXA (0.97) DHFRHEXAHEXBMEN1SLC22A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 9937 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116861-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-04-30 US claimed
US-12522572-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-01-13 US claimed
EP-4524131-A1 SMALL MOLECULES FOR TREATING CANCER, INHABITING CHEMOKINE ACTIVITY AND/OR INDUCING CELL DEATH AlonBio Ltd. (IL) 2025-03-19 EP claimed
US-12202803-B2 Small molecules for treating cancer, inhibiting chemokine activity and/or inducing cell death ALONBIO LTD. (IL) 2025-01-21 US claimed
CN-119034835-A Microfluidic chip and biological particle separation device based on microfluidic chip 清华大学 2024-11-29 CN claimed
US-20240343697-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-10-17 US claimed
US-12109219-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2024-10-08 US claimed
CN-118689752-A New alignment mode of code tracking sequences with same functions but different source codes 炫彩互动网络科技有限公司 2024-09-24 CN claimed
CN-118474705-A Container-aware service function chain placement and optimization method and system in vehicle edge calculation 河海大学 2024-08-09 CN claimed
WO-2024162488-A1 PHARMACEUTICAL COMPOSITION COMPRISING CUCURBITACIN D FOR PREVENTING OR TREATING NEUROPATHIC PAIN 주식회사 재인알앤피 2024-08-08 WO claimed
WO-2007059116-A2 GELDANAMYCIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO claimed
US-20060079472-A1 Methods for treating angiogenesis ANGIOSYN, INC. 2006-04-13 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20040092583-A1 Treatment for inhibiting neoplastic lesions SHANAHAN-PRENDERGAST ELIZABETH (IE) 2004-05-13 US claimed
EP-1351678-A2 TREATMENT FOR INHIBITING NEOPLASTIC LESIONS USING INCENSOLE AND/OR FURANOGERMACRENS Shanahan-Prendergast, Elizabeth (IE) 2003-10-15 EP claimed
WO-2002053138-A2 TREATMENT FOR INHIBITING NEOPLASTIC LESIONS USING INCENSOLE AND/OR FURANOGERMACRENS SHANAHAN-PRENDERGAST ELISABETH (IE) 2002-07-11 WO claimed
US-4005203-A Treatment of meningeal leukemia with diamino dichlorophenyl pyrimidine BURROUGHS WELLCOME CO. (US) 1977-01-25 US claimed
US-4005204-A Treatment of neoplasms in the brain with diamino dichloroalkyl pyrimidine BURROUGHS WELLCOME CO. (US) 1977-01-25 US claimed