SCHEMBL6206900

SCHEMBL6206900

CCOC(=O)c1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 7/20 0.45
HPGD P15428 5/20 0.45
MAPT P10636 6/20 0.45
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6208446 0.97 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAPOLBKDM4E
SCHEMBL10414166 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAPOLBKDM4E
SCHEMBL522852 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7203276 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL6207819 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL6209052 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAPOLBKDM4E
SCHEMBL5331916 0.78 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAPOLBKDM4E
SCHEMBL31336269 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAPOLBKDM4E
SCHEMBL26601683 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAPOLBKDM4E
Chlorothalonil SCHEMBL9763921 0.77 ALOX15 (0.52) ALDH1A1KMT2ALMNAKDM4EHPGD

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