SCHEMBL10695587

SCHEMBL10695587

Cc1ccc(-c2nc(C(N)=O)c(C#N)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.48
IKBKB O14920 1/20 0.43
PARP1 P09874 3/20 0.43
PIN1 Q13526 2/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 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
SCHEMBL10694134 0.87 PARP1 (0.50) CHEK2PARP1DHODHKDM4EMEN1
SCHEMBL10695803 0.86 CHEK2 (0.47) CHEK2PARP1KDM4EMEN1ALDH1A1
SCHEMBL10694623 0.86 PARP1 (0.51) CHEK2IKBKBPARP1MEN1KMT2A
Hydrochloric Acid SCHEMBL10695451 0.86 PARP1 (0.49) CHEK2PARP1DHODHKDM4EMEN1
SCHEMBL10695465 0.86 PARP1 (0.43) CHEK2PARP1DHODH
SCHEMBL10696164 0.85 PARP1 (0.54) CHEK2IKBKBPARP1KDM4EMEN1
SCHEMBL10695184 0.85 PARP1 (0.54) CHEK2PARP1PIN1KDM4E
SCHEMBL10695212 0.84 PARP1 (0.52) CHEK2PARP1PIN1KDM4EMEN1
Hydrochloric Acid SCHEMBL10696531 0.84 PARP1 (0.53) CHEK2PARP1PIN1KDM4E
SCHEMBL10694945 0.83 DHODH (0.55) PARP1DHODHKDM4EMEN1ALDH1A1

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 claimed
EP-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed