SCHEMBL6206671

SCHEMBL6206671

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
BRAF P15056 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
SCHEMBL6206148 0.96 MEN1 (0.52) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL812433 0.80 POLB (0.41) ALDH1A1CYP3A4MAPTMAPK1KMT2A
SCHEMBL5712792 0.79 MEN1 (0.52) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL10804236 0.77 CES2 (0.42) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL5712798 0.76 MEN1 (0.54) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL28938074 0.75 CES2 (0.40) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL1033734 0.74 MEN1 (0.86) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL29849208 0.73 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL1568522 0.73 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL6207819 0.72 ALDH1A1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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