SCHEMBL11430336

SCHEMBL11430336

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MPL P40238 4/20 0.44
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ STAT3 P40763 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
Acetic Acid SCHEMBL11430476 0.97 ALDH1A1 (0.46) KCNMA1ALDH1A1KMT2AMPLHPGD
SCHEMBL11422042 0.92 KCNMA1 (0.48) KCNMA1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL11431960 0.92 KCNMA1 (0.51) KCNMA1ALDH1A1KMT2AMPLHPGD
SCHEMBL11433711 0.90 KCNMA1 (0.44) KCNMA1ALDH1A1KMT2AHPGDKDM4E
Acetic Acid SCHEMBL11422162 0.89 KCNMA1 (0.48) KCNMA1ALDH1A1KMT2AMPLHPGD
SCHEMBL11430407 0.86 KCNMA1 (0.47) KCNMA1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL11430401 0.85 KCNMA1 (0.51) KCNMA1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL11430473 0.85 KMT2A (0.44) KCNMA1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL11438814 0.85 MPL (0.46) KCNMA1KMT2AMPLKDM4EMAPT
SCHEMBL11431361 0.84 ALDH1A1 (0.46) KCNMA1ALDH1A1KMT2AHPGDKDM4E

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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