SCHEMBL11438443

SCHEMBL11438443

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.56
▸ CASP6 P55212 2/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KCNMA1 Q12791 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ SNCA P37840 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ENPP2 Q13822 3/20 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
SCHEMBL11438448 0.95 PRMT1 (0.48) PRMT1CASP6CTDSP1SIRT1NT5E
SCHEMBL11431542 0.93 NT5E (0.55) PRMT1CASP6CTDSP1NT5EPOLB
SCHEMBL11215156 0.92 NT5E (0.54) PRMT1CASP6CTDSP1NT5EPOLB
SCHEMBL11436279 0.92 PRMT1 (0.56) PRMT1CASP6CTDSP1SIRT1NT5E
SCHEMBL11439176 0.88 NT5E (0.45) PRMT1CASP6CTDSP1NT5EPOLB
SCHEMBL11424233 0.87 PRMT1 (0.48) PRMT1CASP6CTDSP1SIRT1POLB
SCHEMBL11440916 0.85 CASP6 (0.64) PRMT1CASP6CTDSP1SIRT1NT5E
SCHEMBL11428750 0.85 NT5E (0.55) PRMT1CASP6CTDSP1NT5EPOLB
SCHEMBL11208452 0.84 NT5E (0.54) PRMT1CASP6CTDSP1NT5EPOLB
SCHEMBL11423138 0.84 CYP1A2 (0.44) CASP6NT5EPOLBKCNMA1MEN1

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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