SCHEMBL4073082

SCHEMBL4073082

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(OC(N)=O)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 0.46
UQCRB P14927 1/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 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
NPSR1 Q6W5P4 1/20 0.43
PTPN5 P54829 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PIK3CA P42336 1/20 0.42
HSD17B2 P37059 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
IKBKB O14920 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
SCHEMBL4067709 0.93 SERPINE1 (0.49) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4404817 0.91 FABP1 (0.44) SERPINE1UQCRBPOLBMEN1KMT2A
SCHEMBL4392130 0.88 SERPINE1 (0.47) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4067259 0.87 SERPINE1 (0.46) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4142121 0.86 MAP2 (0.54) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL3957017 0.84 SERPINE1 (0.54) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4072140 0.84 SERPINE1 (0.42) SERPINE1BRD4ALDH1A1POLBMEN1
SCHEMBL4072264 0.84 EDNRB (0.46) SERPINE1MEN1KMT2ANPSR1PTPN5
SCHEMBL13910226 0.83 SERPINE1 (0.51) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4070333 0.83 FABP1 (0.45) SERPINE1UQCRBALDH1A1POLBPIK3CA

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