SCHEMBL10652663

SCHEMBL10652663

C=CCc1ccc([N+](=O)[O-])c(C(=O)O)c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL10652053 0.80 KMT2A (0.52) KMT2ALMNAHTTMAPTTP53
SCHEMBL10653057 0.73 KMT2A (0.67) KMT2AMAPTTP53ALDH1A1POLB
SCHEMBL11627091 0.72 HCAR3 (0.43) LMNAPOLBTDP1
SCHEMBL10571707 0.69 KMT2A (0.55) KMT2ALMNAHTTMAPTTP53
SCHEMBL6562303 0.68 KMT2A (0.50) KMT2ALMNAMAPTTP53ALDH1A1
SCHEMBL6563976 0.67 KMT2A (0.52) KMT2ALMNAMAPTTP53ALDH1A1
SCHEMBL9620470 0.65 ALDH1A1 (0.54) KMT2ALMNAHTTMAPTALDH1A1
SCHEMBL356201 0.65 KMT2A (0.51) KMT2ALMNAHTTMAPTALDH1A1
SCHEMBL425321 0.64 CASP6 (0.60) LMNAPOLB
SCHEMBL17512440 0.64 HCAR3 (0.62) KMT2ALMNA

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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