SCHEMBL3943906

SCHEMBL3943906

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCc4ccc(O)cc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.48
BRD4 O60885 1/20 0.47
UQCRB P14927 2/20 0.43
KDM1A O60341 1/20 0.43
RAB9A P51151 1/20 0.42
POLB P06746 5/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GHSR Q92847 1/20 0.41
PTPN5 P54829 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3944908 0.95 SERPINE1 (0.52) SERPINE1BRD4RAB9APOLBMAPT
SCHEMBL3942619 0.93 SERPINE1 (0.49) SERPINE1BRD4RAB9APOLBMAPT
SCHEMBL3944503 0.91 SERPINE1 (0.51) SERPINE1BRD4UQCRBRAB9APOLB
SCHEMBL3943857 0.90 KMT2A (0.50) SERPINE1BRD4POLBMAPTSMN1; SMN2
SCHEMBL3942147 0.89 BRD4 (0.52) SERPINE1BRD4UQCRBPOLBMAPT
SCHEMBL3945864 0.89 BRD4 (0.52) SERPINE1BRD4UQCRBPOLBMAPT
SCHEMBL3944919 0.89 SERPINE1 (0.49) SERPINE1BRD4RAB9APOLBMAPT
SCHEMBL3944965 0.88 SERPINE1 (0.47) SERPINE1BRD4RAB9APOLBTDP1
SCHEMBL3941848 0.88 BRD4 (0.51) SERPINE1BRD4UQCRBPOLBMAPT
SCHEMBL3947998 0.88 BRD4 (0.52) SERPINE1BRD4UQCRBPOLBMAPT

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 4 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-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