SCHEMBL4067259

SCHEMBL4067259

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(OC(=O)Nc4ccncc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
ALDH1A1 P00352 6/20 0.43
POLB P06746 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
BRD4 O60885 1/20 0.42
IMPDH2 P12268 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 2/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL4033646 0.89 BRD4 (0.51) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4067709 0.88 SERPINE1 (0.49) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4072140 0.88 SERPINE1 (0.42) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4073082 0.87 SERPINE1 (0.48) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4144514 0.86 ALDH1A1 (0.49) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4761511 0.85 BRD4 (0.44) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3953090 0.84 ALDH1A1 (0.47) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4392130 0.84 SERPINE1 (0.47) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3945365 0.83 BRD4 (0.55) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3951295 0.83 BRD4 (0.52) SERPINE1ALDH1A1POLBMEN1KMT2A

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