SCHEMBL11424281

SCHEMBL11424281

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.49
▸ SMN1; SMN2 Q16637 6/20 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
▸ ALDH1A1 P00352 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL11431791 0.92 KCNMA1 (0.52) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11430401 0.90 KCNMA1 (0.51) KCNMA1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL11430247 0.88 KCNMA1 (0.47) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11433711 0.86 KCNMA1 (0.44) KCNMA1SMN1; SMN2ALDH1A1SIRT6KMT2A
SCHEMBL11433946 0.86 KCNMA1 (0.52) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11430533 0.86 KCNMA1 (0.51) KCNMA1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL11438690 0.85 TTR (0.43) KCNMA1NPC1RAB9ACD40CD40LG
SCHEMBL11423171 0.85 KCNMA1 (0.48) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11423958 0.85 KCNMA1 (0.53) KCNMA1SMN1; SMN2NPC1RAB9AUSP2
SCHEMBL11425400 0.85 KCNMA1 (0.47) 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-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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