SCHEMBL11422006

SCHEMBL11422006

Cc1ccc(C(=O)Nc2cccc3c(S(=O)(=O)O)cc(O)cc23)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.49
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL11425172 0.92 KCNMA1 (0.47) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11425282 0.87 KCNMA1 (0.50) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11423105 0.86 KCNMA1 (0.49) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11431176 0.86 KCNMA1 (0.54) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11436839 0.84 KCNMA1 (0.52) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11431691 0.84 KCNMA1 (0.54) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11431791 0.84 KCNMA1 (0.52) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11437124 0.84 KCNMA1 (0.57) KCNMA1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11426173 0.83 RAB9A (0.43) KCNMA1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11425946 0.83 RAB9A (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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
Send feedback