SCHEMBL10649978

SCHEMBL10649978

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 10/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL10654440 0.93 MAPK1 (0.45) MAPK1L3MBTL1TDP1ALDH1A1HTT
SCHEMBL10873353 0.87 ALDH1A1 (0.47) MAPK1L3MBTL1TDP1ALDH1A1HTT
SCHEMBL9620470 0.81 ALDH1A1 (0.54) MAPK1L3MBTL1ALDH1A1HTTMAPT
SCHEMBL9811280 0.80 ALDH1A1 (0.39) MAPK1L3MBTL1TDP1ALDH1A1HTT
SCHEMBL10652013 0.78 VCAM1 (0.47) L3MBTL1TDP1ALDH1A1MAPTTSHR
SCHEMBL4815935 0.77 TDP1 (0.54) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL10656087 0.77 KMT2A (0.50) L3MBTL1TDP1ALDH1A1HTTMAPT
SCHEMBL10653026 0.77 TDP1 (0.45) L3MBTL1TDP1ALDH1A1MAPTTSHR
SCHEMBL10741160 0.72 ALDH1A1 (0.43) MAPK1L3MBTL1TDP1ALDH1A1HTT
SCHEMBL2257980 0.70 TDP1 (0.64) MAPK1L3MBTL1TDP1ALDH1A1MAPT

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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