SCHEMBL10691031

SCHEMBL10691031

O=c1c(C(F)(F)F)cccn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
MAPT P10636 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL10059739 0.87 MAPT (0.44) MAPTRXFP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29348781 0.86 HTT (0.41) TRPV1MAPTRXFP1LMNATP53
SCHEMBL31537714 0.83 ALDH1A1 (0.40) MAPTRXFP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31537633 0.82 VHL (0.42) MAPTRXFP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1344141 0.81 TRPV1 (0.43) TRPV1MPIPHOSPHO1MAPTRXFP1
SCHEMBL16812365 0.81 ALDH1A1 (0.43) TRPV1MPIPHOSPHO1MAPTRXFP1
SCHEMBL26601277 0.77 KDM4E (0.47) TRPV1MPIPHOSPHO1KDM4EALDH1A1
SCHEMBL30827615 0.77 CYP3A4 (0.41) MAPTALDH1A1LMNACYP1A2TDP1
SCHEMBL27250754 0.77 FFAR4 (0.41) TRPV1ALDH1A1TP53
SCHEMBL15327967 0.76 KDM4E (0.63) TRPV1MPIPHOSPHO1KDM4EALDH1A1

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-0259048-A2 Chemical compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-09 EP disclosed