SCHEMBL11424233

SCHEMBL11424233

Cc1ccc(C(=O)Nc2cc(O)c3ccc(S(=O)(=O)O)cc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.48
▸ CASP6 P55212 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ KCNMA1 Q12791 2/20 0.46
▸ POLB P06746 2/20 0.42
▸ SIRT1 Q96EB6 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL11436279 0.95 PRMT1 (0.56) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11437160 0.93 KCNMA1 (0.45) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11438448 0.92 PRMT1 (0.48) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11428750 0.88 NT5E (0.55) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11208452 0.87 NT5E (0.54) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11438443 0.87 PRMT1 (0.56) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11426442 0.84 KCNMA1 (0.45) CASP6KCNMA1POLBALDH1A1HPGD
SCHEMBL11425998 0.84 KCNMA1 (0.47) CASP6KCNMA1POLBALDH1A1HPGD
SCHEMBL11439176 0.84 NT5E (0.45) PRMT1CASP6CTDSP1KCNMA1POLB
SCHEMBL11428916 0.84 CASP6 (0.55) PRMT1CASP6CTDSP1SIRT1ALDH1A1

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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