SCHEMBL10697507

SCHEMBL10697507

COc1cccc(-c2nc(C(N)=O)c(C#N)[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.60
PIN1 Q13526 2/20 0.58
SLC9A1 P19634 1/20 0.53
IKBKB O14920 1/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HCRTR1 O43613 1/20 0.48
CDC7 O00311 1/20 0.45
GRK6 P43250 1/20 0.45
PLA2G2A P14555 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10696164 0.85 PARP1 (0.54) PARP1IKBKBMEN1HPGDKMT2A
SCHEMBL10695152 0.81 PARP1 (0.57) PARP1PIN1SLC9A1IKBKBGAA
SCHEMBL10697513 0.81 PIN1 (0.55) PARP1PIN1SLC9A1CDC7GRK6
SCHEMBL10696406 0.81 PIN1 (0.45) PARP1PIN1HPGDCDC7ALOX15
SCHEMBL10694557 0.80 HPGD (0.53) PARP1PIN1MEN1HPGDHTT
SCHEMBL3559177 0.78 CHEK2 (0.57)
SCHEMBL10695790 0.78 MAPT (0.50) PARP1PIN1MEN1HTTKMT2A
SCHEMBL10695587 0.76 CHEK2 (0.48) PARP1PIN1IKBKBMEN1HPGD
SCHEMBL10697405 0.75 CHEK2 (0.43) PARP1PIN1
SCHEMBL4321727 0.75 PARP1 (1.00) PARP1PLA2G2AALOX15PTGS2DYRK3

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