SCHEMBL7012571

SCHEMBL7012571

Clc1nc(NCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PDE5A O76074 6/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
REN P00797 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5815269 0.96 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL7016164 0.94 HTT (0.52) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL7176810 0.90 KMT2A (0.48) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL5779219 0.90 HTT (0.48) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL7533225 0.87 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL7017142 0.84 HTT (0.56) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL7408485 0.84 PRKCI (0.62) PRKCI
SCHEMBL5798171 0.82 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL5776791 0.82 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL8205598 0.82 PDE5A (0.66) MEN1KMT2ASMN1; SMN2HTTMAPT

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

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed