SCHEMBL11430359

SCHEMBL11430359

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NFKBIA P25963 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL11425199 0.92 KCNMA1 (0.43) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11437674 0.88 KCNMA1 (0.48) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11425174 0.86 KCNMA1 (0.51) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11421989 0.85 KCNMA1 (0.47) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11431851 0.84 KCNMA1 (0.53) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11425892 0.84 GRM5 (0.41) KCNMA1KMT2AMEN1SMN1; SMN2CD40
SCHEMBL11433116 0.84 GRM5 (0.39) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11431691 0.83 KCNMA1 (0.54) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11425195 0.82 MAPT (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2CD40
SCHEMBL11423102 0.82 KCNMA1 (0.48) KCNMA1ALDH1A1KMT2AMEN1SMN1; SMN2

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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