SCHEMBL11430423

SCHEMBL11430423

Cc1ccc(C(=O)Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ HPGD P15428 2/20 0.57
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ POLB P06746 3/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL11434508 0.96 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11421978 0.92 MEN1 (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11436835 0.90 MAPT (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11425117 0.88 MEN1 (0.49) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11433364 0.85 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11423367 0.84 HPGD (0.61) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11422986 0.84 MEN1 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11438675 0.84 CASP6 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11437659 0.84 MAPT (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11426110 0.83 MEN1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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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