SCHEMBL10653026

SCHEMBL10653026

Cc1ccc([N+](=O)[O-])c(C(=O)O)c1S(=O)(=O)N(C)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 2/20 0.39
▸ VCAM1 P19320 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HCAR3 P49019 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PDE1B Q01064 1/20 0.34

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
SCHEMBL10652013 0.89 VCAM1 (0.47) TDP1L3MBTL1ALDH1A1TSHRVCAM1
SCHEMBL10650928 0.79 KMT2A (0.51) TDP1L3MBTL1ALDH1A1TSHRVCAM1
SCHEMBL10650939 0.79 KMT2A (0.51) TDP1L3MBTL1ALDH1A1TSHRVCAM1
SCHEMBL10649978 0.77 MAPK1 (0.46) TDP1L3MBTL1ALDH1A1TSHRMAPT
SCHEMBL10873353 0.76 ALDH1A1 (0.47) TDP1L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL4815935 0.76 TDP1 (0.54) TDP1L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL26376299 0.76 VCAM1 (0.54) ALDH1A1TSHRVCAM1KDM4EKMT2A
SCHEMBL10654440 0.75 MAPK1 (0.45) TDP1L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL10651980 0.71 KMT2A (0.47) TDP1L3MBTL1ALDH1A1VCAM1KDM4E
SCHEMBL9811297 0.71 KMT2A (0.47) TDP1L3MBTL1ALDH1A1VCAM1KDM4E

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
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP claimed
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