SCHEMBL10697513

SCHEMBL10697513

N#Cc1[nH]c(-c2cccc(F)c2)nc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.55
SLC9A1 P19634 1/20 0.50
GRK6 P43250 1/20 0.42
CDC7 O00311 1/20 0.42
HPGDS O60760 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PARP1 P09874 7/20 0.41
DHODH Q02127 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL10695152 0.85 PARP1 (0.57) PIN1SLC9A1MGAMGAASI
SCHEMBL10696406 0.85 PIN1 (0.45) PIN1CDC7GAAPARP1
SCHEMBL10695803 0.84 CHEK2 (0.47) PARP1
SCHEMBL11480998 0.82 PIN1 (0.62) PIN1SLC9A1GRK6CDC7HPGDS
SCHEMBL10697507 0.81 PARP1 (0.60) PIN1SLC9A1GRK6CDC7GAA
SCHEMBL10695790 0.81 MAPT (0.50) PIN1GRK6CDC7PARP1
SCHEMBL10694148 0.78 MGAM (0.47) PIN1GRK6HPGDSMGAMGAA
SCHEMBL10697405 0.78 CHEK2 (0.43) PIN1PARP1
SCHEMBL10694134 0.77 PARP1 (0.50) GAAPARP1DHODH
SCHEMBL10694425 0.76 PARP1 (0.54) SLC9A1CDC7MGAMGAASI

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