SCHEMBL1344141

SCHEMBL1344141

Cc1cccn(-c2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.43
LCK P06239 1/20 0.43
KIT P10721 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TDP2 O95551 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL4282578 0.84 HTT (0.51) LCKKITSRCMPIPHOSPHO1
SCHEMBL14018033 0.82 PTGS2 (0.45) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL10691031 0.81 TRPV1 (0.44) TRPV1MPIPHOSPHO1GSK3AGSK3B
SCHEMBL747392 0.80 NOTUM (0.47) LCKKITSRCKDM4EALDH1A1
SCHEMBL16812365 0.79 ALDH1A1 (0.43) TRPV1LCKKITSRCKDR
SCHEMBL26601277 0.79 KDM4E (0.47) TRPV1MPIPHOSPHO1KDM4EALDH1A1
SCHEMBL9109139 0.79 MMP8 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL13153504 0.79 FAAH (0.38) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL3834300 0.79 ALDH1A1 (0.40) LCKKITSRCKDRKDM4E
SCHEMBL2615405 0.78 TDP1 (0.40) TRPV1MPIPHOSPHO1GSK3AGSK3B

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
US-8063055-B2 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2011-11-22 US disclosed