SCHEMBL3946458

SCHEMBL3946458

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccccn4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
SERPINE1 P05121 1/20 0.46
PHGDH O43175 1/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
PTPN5 P54829 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL3942628 0.92 BRD4 (0.47) BRD4KDM4EALDH1A1SERPINE1POLB
SCHEMBL3940672 0.89 BRD4 (0.47) BRD4KDM4EALDH1A1SERPINE1POLB
SCHEMBL3945365 0.89 BRD4 (0.55) BRD4ALDH1A1SERPINE1POLBMEN1
SCHEMBL3940667 0.89 BRD4 (0.48) BRD4KDM4EALDH1A1SERPINE1POLB
SCHEMBL4033646 0.89 BRD4 (0.51) BRD4ALDH1A1SERPINE1POLBMEN1
SCHEMBL3952979 0.88 BRD4 (0.47) BRD4KDM4EALDH1A1SERPINE1POLB
SCHEMBL3952042 0.88 BRD4 (0.46) BRD4ALDH1A1SERPINE1POLBMEN1
SCHEMBL3941927 0.88 BRD4 (0.48) BRD4KDM4EALDH1A1SERPINE1POLB
SCHEMBL3950711 0.87 HSD11B1 (0.48) BRD4KDM4EALDH1A1PHGDHKMT2A
SCHEMBL3950164 0.87 BRD4 (0.46) BRD4ALDH1A1SERPINE1POLBMEN1

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-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