SCHEMBL11437674

SCHEMBL11437674

Cc1ccc(C(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NFKBIA P25963 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL11431862 0.92 KCNMA1 (0.46) KCNMA1ALDH1A1KMT2AMEN1NFKBIA
SCHEMBL11430359 0.88 KCNMA1 (0.46) KCNMA1ALDH1A1KMT2AMEN1NFKBIA
SCHEMBL11423179 0.85 KCNMA1 (0.49) KCNMA1ALDH1A1KMT2AMEN1POLB
SCHEMBL11423102 0.84 KCNMA1 (0.48) KCNMA1ALDH1A1KMT2AMEN1NFKBIA
SCHEMBL11433192 0.84 AURKA (0.43) KCNMA1KMT2AMEN1POLBNPC1
SCHEMBL11434116 0.84 AURKA (0.41) KCNMA1ALDH1A1KMT2AMEN1RELA
SCHEMBL11437124 0.83 KCNMA1 (0.57) KCNMA1ALDH1A1KMT2AMEN1TDP1
SCHEMBL11426050 0.82 KCNMA1 (0.56) KCNMA1ALDH1A1KMT2AMEN1TDP1
SCHEMBL11431857 0.82 MAPT (0.50) KCNMA1ALDH1A1KMT2AMEN1TDP1
SCHEMBL11425174 0.82 KCNMA1 (0.51) KCNMA1ALDH1A1KMT2AMEN1NFKBIA

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