SCHEMBL10697405

SCHEMBL10697405

N#Cc1[nH]c(-c2ccc(Cl)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.43
HRH1 P35367 1/20 0.41
PARP1 P09874 3/20 0.41
ABL1 P00519 3/20 0.40
RHEB Q15382 1/20 0.39
PIN1 Q13526 1/20 0.38
CASP1 P29466 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
SCHEMBL10694623 0.85 PARP1 (0.51) CHEK2PARP1
SCHEMBL10695152 0.83 PARP1 (0.57) HRH1PARP1PIN1
SCHEMBL10694134 0.81 PARP1 (0.50) CHEK2PARP1
SCHEMBL10695803 0.80 CHEK2 (0.47) CHEK2PARP1
SCHEMBL10695587 0.80 CHEK2 (0.48) CHEK2PARP1PIN1
SCHEMBL10695465 0.80 PARP1 (0.43) CHEK2PARP1
Hydrochloric Acid SCHEMBL10695451 0.80 PARP1 (0.49) CHEK2PARP1
SCHEMBL10695212 0.78 PARP1 (0.52) CHEK2PARP1PIN1CASP1
SCHEMBL10697288 0.78 MEN1 (0.48) CHEK2PARP1
SCHEMBL10697513 0.78 PIN1 (0.55) PARP1PIN1

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