SCHEMBL10697336

SCHEMBL10697336

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK13 O15264 2/20 0.46
GCGR P47871 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
ALOX5 P09917 2/20 0.46
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 5/20 0.41
PKM P14618 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL18402405 0.84 RHEB (0.49) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL10695576 0.83 ERBB2 (0.47) ERBB2MEN1KMT2AMAPK13GCGR
SCHEMBL10696417 0.83 ALDH1A1 (0.44) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL10696735 0.83 ERBB2 (0.47) ERBB2MAPK13GCGRMAPK12MAPK11
SCHEMBL10697291 0.83 ERBB2 (0.47) ERBB2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28533254 0.83 MMP3 (0.41) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ERBB2MEN1KMT2AMAPK13MAPK12
SCHEMBL10694064 0.82 DGAT1 (0.49) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10694148 0.81 MGAM (0.47) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10696383 0.79 HPGD (0.50) MEN1KMT2AKDM4ENPC1RAB9A

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