SCHEMBL10696610

SCHEMBL10696610

N#Cc1nc(-c2ccc(OC(F)(F)F)cc2)[nH]c1C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GRK6 P43250 1/20 0.41
ADORA1 P30542 1/20 0.40
TRPA1 O75762 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
KCNH2 Q12809 3/20 0.39
CHEK2 O96017 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
SCN10A Q9Y5Y9 5/20 0.38
NPY5R Q15761 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
DHODH Q02127 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL10696383 0.81 HPGD (0.50) TNKS2ADORA1
SCHEMBL10694064 0.81 DGAT1 (0.49) WNT3ATNKS2KCNH2
SCHEMBL9378983 0.81 SCN9A (0.44) TRPV1WNT3ATRPA1SCN5ASCN9A
SCHEMBL9215606 0.80 AR (0.33) KDM5ATRPV1ADORA1TRPA1SCN5A
SCHEMBL10694053 0.79 CHEK2 (0.48) KDM5AWNT3ATNKS2GRK6ADORA1
SCHEMBL10697336 0.79 ERBB2 (0.47) TNKS2
SCHEMBL3366984 0.78 CHEK2 (0.55) CHEK2DHODH
SCHEMBL18402405 0.77 RHEB (0.49) KCNH2CHEK2
SCHEMBL10697291 0.75 ERBB2 (0.47) TNKS2NISCH
SCHEMBL10696417 0.75 ALDH1A1 (0.44) TNKS2

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