SCHEMBL11437160

SCHEMBL11437160

Cc1ccc(C(=O)Nc2cc(O)c3cc(S(=O)(=O)O)ccc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.45
▸ NT5E P21589 2/20 0.45
▸ POLB P06746 2/20 0.42
▸ SNCA P37840 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NSD2 O96028 2/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL11428750 0.93 NT5E (0.55) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11424233 0.93 PRMT1 (0.48) KCNMA1POLBSNCAALDH1A1HPGD
SCHEMBL11208452 0.92 NT5E (0.54) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11439176 0.92 NT5E (0.45) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11436279 0.88 PRMT1 (0.56) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11426442 0.86 KCNMA1 (0.45) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11431542 0.85 NT5E (0.55) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11426113 0.84 KCNMA1 (0.46) KCNMA1POLBALDH1A1HPGDTDP1
SCHEMBL11438448 0.84 PRMT1 (0.48) KCNMA1NT5EPOLBSNCAALDH1A1
SCHEMBL11435464 0.84 NT5E (0.50) NT5ESNCAALDH1A1NSD2CASP6

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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