SCHEMBL29029080

SCHEMBL29029080

COc1ccc(CNS(=O)(=O)c2ccc(N(C)CCO)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP19A1 P11511 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.45
VCAM1 P19320 1/20 0.45
OPRK1 P41145 1/20 0.44
POLB P06746 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL29029071 0.90 ALDH1A1 (0.49) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL29471221 0.87 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL29029059 0.83 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL29029090 0.82 TSHR (0.49) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL9980399 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL26547989 0.79 KDM4E (0.60) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL30480910 0.78 ALDH3A1 (0.60) ALDH1A1TSHRKDM4ECYP19A1LMNA
SCHEMBL4911967 0.73 ALDH1A1 (0.70) ALDH1A1TSHRCYP19A1LMNASMN1; SMN2
SCHEMBL28156680 0.73 MEN1 (0.71) ALDH1A1TSHRCYP19A1GAAPOLB
SCHEMBL11637929 0.72 NPC1 (0.59) ALDH1A1TSHRCYP19A1LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 EP disclosed
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 WO disclosed