SCHEMBL11426050

SCHEMBL11426050

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 7/20 0.56
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ AURKB Q96GD4 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL11437902 0.96 KCNMA1 (0.51) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11437124 0.93 KCNMA1 (0.57) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11423958 0.92 KCNMA1 (0.53) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11431691 0.89 KCNMA1 (0.54) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11439152 0.88 KCNMA1 (0.48) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11424951 0.88 KCNMA1 (0.51) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11431851 0.88 KCNMA1 (0.53) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11720856 0.87 KCNMA1 (0.49) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11426568 0.85 KCNMA1 (0.54) KCNMA1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL11431791 0.85 KCNMA1 (0.52) KCNMA1NPC1RAB9ASMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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