SCHEMBL10656087

SCHEMBL10656087

O=C(O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ CA12 O43570 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ NPY5R Q15761 3/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL10656976 0.88 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CA12CYP19A1
SCHEMBL10568780 0.87 NPY5R (0.49) KMT2AMEN1ALDH1A1CA12TDP1
SCHEMBL10565319 0.86 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1CA12TDP1
SCHEMBL10570435 0.85 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CA12TDP1
SCHEMBL10569654 0.85 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1CA12L3MBTL1
SCHEMBL454129 0.83 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1CA12TDP1
SCHEMBL9620317 0.80 PKM (0.56) KMT2AMEN1ALDH1A1L3MBTL1CYP2C19
SCHEMBL10571766 0.79 NPY5R (0.46) KMT2AMEN1ALDH1A1CA12TDP1
SCHEMBL9811375 0.79 KMT2A (0.46) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL10572547 0.78 NPY5R (0.45) KMT2AMEN1ALDH1A1CA12CYP19A1

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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