SCHEMBL4413374

SCHEMBL4413374

O=C(NCc1ccc(S(=O)(=O)NCC(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.76
▸ MAPK10 P53779 1/20 0.76
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ USP2 O75604 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 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
SCHEMBL7435165 0.87 MAPK9 (0.59) MAPK9MAPK10MEN1KMT2ANPC1
SCHEMBL1518774 0.87 MAPK9 (1.00) MAPK9MAPK10MEN1KMT2ANPC1
SCHEMBL2420683 0.79 MAPK9 (0.85) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2421884 0.79 MAPK9 (0.85) MAPK9MAPK10MEN1KMT2ACYP2D6
SCHEMBL13198016 0.77 MAPK9 (0.77) MAPK9MAPK10MEN1KMT2ANPC1
SCHEMBL2422524 0.77 MAPK9 (0.81) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2422088 0.77 MAPK9 (0.81) MAPK9MAPK10MEN1KMT2ACYP2D6
SCHEMBL2422218 0.76 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ANPC1
SCHEMBL4970923 0.76 MAPK9 (0.79) MAPK9MAPK10MEN1KMT2ACYP2D6
SCHEMBL2425364 0.76 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ANPC1

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-1218375-B1 PHARMACEUTICALLY ACTIVE SULFONYL AMINO ACID DERIVATIVES MERCK SERONO SA (CH) 2009-08-26 — — EP claimed
EP-1218375-B1 PHARMACEUTICALLY ACTIVE SULFONYL AMINO ACID DERIVATIVES MERCK SERONO SA (CH) 2009-08-26 — — EP disclosed
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