SCHEMBL4072140

SCHEMBL4072140

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(OC(=O)Nc4nccs4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CA1 P00915 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 4/20 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
SCHEMBL4067259 0.88 SERPINE1 (0.46) SERPINE1MEN1KMT2AALDH1A1HTT
SCHEMBL4133822 0.88 MEN1 (0.45) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL4067709 0.85 SERPINE1 (0.49) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL4073082 0.84 SERPINE1 (0.48) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL4392130 0.81 SERPINE1 (0.47) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL4077705 0.79 PTPN5 (0.41) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL4069882 0.79 BRD4 (0.42) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL3957017 0.78 SERPINE1 (0.54) SERPINE1MEN1KMT2AALDH1A1MAPT
SCHEMBL3946458 0.78 BRD4 (0.49) SERPINE1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3945365 0.77 BRD4 (0.55) SERPINE1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP claimed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed