SCHEMBL11720856

SCHEMBL11720856

Cc1ccc(C(=O)Nc2cccc3c(S(=O)(=O)O)c(S(=O)(=O)O)cc(O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SLC5A1 P13866 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL11437902 0.89 KCNMA1 (0.51) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11424951 0.87 KCNMA1 (0.51) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11426050 0.87 KCNMA1 (0.56) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11431851 0.85 KCNMA1 (0.53) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11720865 0.84 CRHBP (0.43) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11431691 0.83 KCNMA1 (0.54) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11437124 0.83 KCNMA1 (0.57) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11422006 0.82 KCNMA1 (0.49) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11423105 0.82 KCNMA1 (0.49) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11423371 0.82 KCNMA1 (0.57) KCNMA1SMN1; SMN2NPC1RAB9AUSP2

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-4018764-A IMMUNOLOGY, ANTIBODY INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-04-19 — — US disclosed
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