SCHEMBL1428940

SCHEMBL1428940

COc1ccc2[nH]c(C)c(C=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
MAPT P10636 3/20 0.58
HSD17B10 Q99714 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 1/20 0.58
GFER P55789 1/20 0.58
PIKFYVE Q9Y2I7 1/20 0.56
HPGD P15428 3/20 0.54
AKR1C2 P52895 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR1D P28221 2/20 0.52
HTR6 P50406 2/20 0.52
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR1E P28566 1/20 0.50

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
SCHEMBL31429037 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28873648 0.87 KDM4E (0.59) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL12949369 0.85 PIKFYVE (0.58) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28337205 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL16756045 0.83 HTR6 (0.49) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL10939480 0.83 KDM4E (0.57) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL1428531 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL8400871 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL22722589 0.83 PIKFYVE (0.58) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28460399 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10MEN1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621214-B Antibacterial Schiff base N-acylate, and preparation method and application thereof 宜春学院 2024-04-26 CN claimed
CN-114621214-A Antibacterial Schiff base N-acylate and preparation method and application thereof 宜春学院 2022-06-14 CN claimed
WO-2012145069-A2 MATERIALS AND METHODS USEFUL TO INDUCE CELL DEATH VIA METHUOSIS THE UNIVERSITY OF TOLEDO (US) 2012-10-26 WO claimed
WO-2025056913-A1 COMPOUND AND METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2025-03-20 WO disclosed
CN-119350333-A NQO1 agonist based on evodiamine and preparation method and application thereof 陕西中医药大学 2025-01-24 CN disclosed
CN-114621214-B Antibacterial Schiff base N-acylate, and preparation method and application thereof 宜春学院 2024-04-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114621214-A Antibacterial Schiff base N-acylate and preparation method and application thereof 宜春学院 2022-06-14 CN disclosed
CN-108358841-B 4- ((2-substituted quinoline-4-yl) amino) benzoyl hydrazine derivatives, and preparation method and application thereof 厦门大学 2020-11-10 CN disclosed
CN-106977518-B A kind of N- substituted pyrazolecarboxylic simultaneously [3,4-d] pyrimidinones and preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-110330535-A N-heterocyclic carbine base mixed matching nickel (II) complex and its application 苏州大学 2019-10-15 CN disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed
WO-2001004130-A1 PHOSPHORAMIDE COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2001-01-18 WO disclosed
US-5604253-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS MERCK FROSST CANADA, INC. (CA) 1997-02-18 US disclosed
WO-1996037469-A1 N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO disclosed
US-5112846-A Nonsteroidal antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1992-05-12 US disclosed
US-5075330-A N-hydroxyamide, N-hydroxythioamide, N-hydroxyurea, and N-hydroxythiourea derivatives of selected NSAIDS as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-12-24 US disclosed
US-4981865-A N-hydroxyamide, N-hydroxythioamide, hydroxyurea, and N-hydroxythiourea derivatives of selected nsaids as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-01-01 US disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed