SCHEMBL10694064

SCHEMBL10694064

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.49
KCNH2 Q12809 2/20 0.49
SOAT1 P35610 1/20 0.49
KIF11 P52732 1/20 0.46
GFER P55789 1/20 0.44
TNKS O95271 2/20 0.43
WNT3A P56704 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
RAB9A P51151 2/20 0.43
PARP1 P09874 2/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NPBWR1 P48145 2/20 0.40
DAO P14920 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL10697336 0.82 ERBB2 (0.47) TNKSTNKS2RAB9AMAPK13MAPK12
SCHEMBL10696610 0.81 KDM5A (0.42) KCNH2WNT3ATNKS2
SCHEMBL18402405 0.80 RHEB (0.49) DGAT1KCNH2SOAT1PARP1MAPK13
SCHEMBL10697291 0.79 ERBB2 (0.47) DGAT1TNKSTNKS2RAB9APARP1
SCHEMBL10695576 0.79 ERBB2 (0.47) TNKSTNKS2RAB9APARP1MAPK13
SCHEMBL10696735 0.79 ERBB2 (0.47) TNKSTNKS2PARP1MAPK13MAPK12
SCHEMBL10696417 0.79 ALDH1A1 (0.44) GFERTNKSTNKS2RAB9APARP1
SCHEMBL28533254 0.79 MMP3 (0.41) TNKSTNKS2PARP1MAPK13RAF1
SCHEMBL7074324 0.78 ALDH1A1 (0.49) TNKSTNKS2RAB9APARP1MAPK13
SCHEMBL9220607 0.77 CTSS (0.40) DGAT1KCNH2SOAT1CTSSCTSK

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