SCHEMBL3944372

SCHEMBL3944372

Cc1cccc(-c2c(OC(=O)NC3CCOCC3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
IDH2 P48735 1/20 0.39
SERPINE1 P05121 1/20 0.39
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UQCRB P14927 1/20 0.37
IKBKB O14920 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL3947584 0.93 BRD4 (0.48) BRD4SERPINE1HIF1AALDH1A1LMNA
SCHEMBL3951262 0.92 BRD4 (0.43) BRD4SERPINE1HIF1AALDH1A1LMNA
SCHEMBL3947328 0.91 HSD17B10 (0.44) BRD4SERPINE1ALDH1A1LMNASMN1; SMN2
SCHEMBL3950597 0.89 BRD4 (0.42) BRD4SERPINE1HIF1AALDH1A1LMNA
SCHEMBL3941796 0.88 BRD4 (0.43) BRD4SERPINE1HIF1AALDH1A1LMNA
SCHEMBL4762404 0.88 BRD4 (0.42) BRD4SERPINE1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4792215 0.88 DYRK1A (0.40) BRD4SERPINE1LMNASMN1; SMN2MEN1
SCHEMBL3944329 0.87 BRD4 (0.45) BRD4IDH2SERPINE1HIF1AALDH1A1
SCHEMBL4762071 0.87 HSD17B10 (0.46) BRD4ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3944386 0.87 BRD4 (0.52) BRD4SERPINE1HIF1AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP claimed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed