SCHEMBL3944908

SCHEMBL3944908

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCc4ccccc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.52
BRD4 O60885 1/20 0.50
RAB9A P51151 2/20 0.46
IKBKB O14920 1/20 0.43
MAPT P10636 5/20 0.43
POLB P06746 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GHSR Q92847 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.41
NR1I2 O75469 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL3943906 0.95 SERPINE1 (0.48) SERPINE1BRD4RAB9AIKBKBMAPT
SCHEMBL3944503 0.95 SERPINE1 (0.51) SERPINE1BRD4RAB9AIKBKBMAPT
SCHEMBL3942619 0.95 SERPINE1 (0.49) SERPINE1BRD4RAB9AMAPTPOLB
SCHEMBL3944919 0.93 SERPINE1 (0.49) SERPINE1BRD4RAB9AIKBKBMAPT
SCHEMBL3944965 0.93 SERPINE1 (0.47) SERPINE1BRD4RAB9APOLBTDP1
SCHEMBL3945864 0.92 BRD4 (0.52) SERPINE1BRD4IKBKBMAPTPOLB
SCHEMBL3942021 0.92 BRD4 (0.54) SERPINE1BRD4IKBKBMAPTPOLB
SCHEMBL3942147 0.92 BRD4 (0.52) SERPINE1BRD4IKBKBMAPTPOLB
SCHEMBL3943857 0.91 KMT2A (0.50) SERPINE1BRD4MAPTPOLBSMN1; SMN2
SCHEMBL3941848 0.91 BRD4 (0.51) SERPINE1BRD4IKBKBMAPTPOLB

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