SCHEMBL10694101

SCHEMBL10694101

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.54
IKBKB O14920 1/20 0.47
CHEK2 O96017 2/20 0.46
DGAT1 O75907 2/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE2A O00408 1/20 0.41
TNKS O95271 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
WNT3A P56704 2/20 0.41
DAO P14920 1/20 0.41
RAB9A P51151 1/20 0.41
COMT P21964 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL10695803 0.85 CHEK2 (0.47) PARP1CHEK2TNKSTNKS2RAB9A
SCHEMBL10694053 0.84 CHEK2 (0.48) PARP1CHEK2TNKS2WNT3A
SCHEMBL10694134 0.83 PARP1 (0.50) PARP1CHEK2TNKSTNKS2RAB9A
SCHEMBL10695465 0.82 PARP1 (0.43) PARP1CHEK2TNKSTNKS2
Hydrochloric Acid SCHEMBL10695451 0.82 PARP1 (0.49) PARP1CHEK2TNKSTNKS2RAB9A
SCHEMBL10694623 0.82 PARP1 (0.51) PARP1IKBKBCHEK2
SCHEMBL10695587 0.82 CHEK2 (0.48) PARP1IKBKBCHEK2
SCHEMBL10695212 0.81 PARP1 (0.52) PARP1CHEK2
SCHEMBL11479435 0.81 PARP1 (0.55) PARP1IKBKBCHEK2DGAT1KCNH2
SCHEMBL10695184 0.79 PARP1 (0.54) PARP1CHEK2RAB9A

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 1 patent. 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