SCHEMBL5712792

SCHEMBL5712792

N#Cc1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR35 Q9HC97 1/20 0.32
HTT P42858 1/20 0.32
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.31
IMPDH2 P12268 1/20 0.31
NOTUM Q6P988 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL5712798 0.96 MEN1 (0.54) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL29849208 0.88 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL1568522 0.88 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
Ammonia Solution, Strong SCHEMBL11743011 0.86 MEN1 (0.48) MEN1ALDH1A1TP53CYP3A4MAPT
Ammonia Solution, Strong SCHEMBL11743016 0.86 MEN1 (0.48) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL6206671 0.79 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL70425 0.79 DPP4 (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2HTT
SCHEMBL4899263 0.79 DPP4 (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2HTT
SCHEMBL11426187 0.76 CYP1A2 (0.35) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL29229158 0.76 CYP1A2 (0.35) MEN1ALDH1A1TP53CYP3A4MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514866-B1 Process for producing cyanobenzoic acid derivatives SHOWA DENKO KK (JP) 2006-11-15 EP disclosed
EP-1514866-A1 Process for producing cyanobenzoic acid derivatives SHOWA DENKO KABUSHIKI KAISHA (JP) 2005-03-16 EP disclosed
EP-1508567-A2 Process for producing cyanobenzoic acid derivatives SHOWA DENKO KABUSHIKI KAISHA (JP) 2005-02-23 EP disclosed
US-6433211-B1 SELECTIVITY HYDRATION OF AROMATIC DINITRILES SHOWA DENKO KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
EP-0989115-A2 Process for producing cyanobenzoic acid derivatives Showa Denko Kabushiki Kaisha (JP) 2000-03-29 EP disclosed