SCHEMBL10694053

SCHEMBL10694053

N#Cc1[nH]c(-c2ccc(OC(F)(F)F)cc2)nc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.48
GRK6 P43250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.43
SCN9A Q15858 4/20 0.40
ADORA1 P30542 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CHEK1 O14757 1/20 0.40
PARP1 P09874 4/20 0.39
KDM5A P29375 1/20 0.39
DHODH Q02127 1/20 0.38
PLA2G2A P14555 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL10694101 0.84 PARP1 (0.54) CHEK2WNT3ATNKS2PARP1
SCHEMBL10696164 0.84 PARP1 (0.54) CHEK2ADORA1PARP1PLA2G2AALOX15
SCHEMBL9222388 0.82 CHEK2 (0.35) CHEK2ADORA1DHODH
SCHEMBL10695803 0.82 CHEK2 (0.47) CHEK2TNKS2PARP1
SCHEMBL3559177 0.81 CHEK2 (0.57) CHEK2SCN9ADHODH
SCHEMBL10694134 0.80 PARP1 (0.50) CHEK2TNKS2PARP1DHODH
SCHEMBL10695465 0.79 PARP1 (0.43) CHEK2TNKS2PARP1DHODH
SCHEMBL10696610 0.79 KDM5A (0.42) CHEK2GRK6SCN10ASCN9AADORA1
SCHEMBL10694623 0.79 PARP1 (0.51) CHEK2PARP1
Hydrochloric Acid SCHEMBL10695451 0.79 PARP1 (0.49) CHEK2TNKS2PARP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP disclosed