SCHEMBL10695465

SCHEMBL10695465

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.43
CHEK2 O96017 3/20 0.43
HDAC6 Q9UBN7 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
PIP4K2A P48426 1/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
DHODH Q02127 1/20 0.37
CDC7 O00311 1/20 0.36

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
SCHEMBL10694134 0.87 PARP1 (0.50) PARP1CHEK2TNKSTNKS2DHODH
Hydrochloric Acid SCHEMBL10695451 0.86 PARP1 (0.49) PARP1CHEK2TNKSTNKS2DHODH
SCHEMBL10695803 0.86 CHEK2 (0.47) PARP1CHEK2HDAC6TNKSTNKS2
SCHEMBL10695587 0.86 CHEK2 (0.48) PARP1CHEK2DHODH
SCHEMBL10694623 0.86 PARP1 (0.51) PARP1CHEK2
SCHEMBL10695212 0.84 PARP1 (0.52) PARP1CHEK2MMP2MMP9MMP8
SCHEMBL10696406 0.84 PIN1 (0.45) PARP1HDAC6CDC7
SCHEMBL10694101 0.82 PARP1 (0.54) PARP1CHEK2TNKSTNKS2
SCHEMBL10696164 0.82 PARP1 (0.54) PARP1CHEK2
SCHEMBL10695184 0.82 PARP1 (0.54) PARP1CHEK2SIRT2

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