SCHEMBL9504950

SCHEMBL9504950

FC(F)(F)c1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.47
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS1 P29475 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL24113220 0.87 MEN1 (0.41) NPSR1MAPTKDM4EHPGDALDH1A1
SCHEMBL10722861 0.83 NPSR1 (0.50) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL22648611 0.82 PARP1 (0.39) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL28344139 0.80 NPSR1 (0.55) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL1663646 0.79 MAPT (0.54) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL7045388 0.79 NPSR1 (0.44) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL9502744 0.79 NPSR1 (0.53) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL12145773 0.78 NPSR1 (0.55) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL15367263 0.77 PKM (0.46) NPSR1PKMMAPTKDM4EHPGD
SCHEMBL1502530 0.77 PARP1 (0.60) NPSR1PKMHPGDALDH1A1MEN1

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-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
US-4000295-A ARACHNICIDAL ELI LILLY AND COMPANY (US) 1976-12-28 US disclosed