SCHEMBL11433368

SCHEMBL11433368

Cc1ccc(C(=O)Nc2ccc3ccc(S(=O)(=O)O)cc3c2O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.51
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ KLK1 P06870 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
SCHEMBL11422990 0.93 KCNMA1 (0.50) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11426602 0.92 KCNMA1 (0.48) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11430424 0.85 KCNMA1 (0.54) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11434510 0.85 KCNMA1 (0.54) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11426113 0.85 KCNMA1 (0.46) KCNMA1NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL11434140 0.84 KCNMA1 (0.47) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11425760 0.84 PLG (0.44) KCNMA1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL11433105 0.84 PLG (0.42) KCNMA1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL11423194 0.83 KCNMA1 (0.51) KCNMA1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL11425998 0.82 KCNMA1 (0.47) KCNMA1NPC1RAB9ACYP1A2CYP3A4

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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