SCHEMBL2359971

SCHEMBL2359971

O=CNc1ccc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.43
DEGS1 O15121 1/20 0.42
PTGS1 P23219 2/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
CCR6 P51684 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL214049 0.86 RAB9A (0.49) DEGS1PTGS1NPC1RAB9A
SCHEMBL2360146 0.81 TEK (0.49) KDRTEK
SCHEMBL2324455 0.80 TEK (0.55) KIF11TEKCA12CA9
SCHEMBL212774 0.80 ACHE (0.45) DEGS1NPC1RAB9A
SCHEMBL2360453 0.78 WNT3A (0.42) TEKNPC1RAB9A
SCHEMBL2320060 0.78 DEGS1 (0.45) DEGS1KDRTEKNPC1RAB9A
SCHEMBL2359964 0.77 DEGS1 (0.46) KIF11DEGS1PTGS1KDRTEK
SCHEMBL5429627 0.75 KIF11 (0.57) KIF11
SCHEMBL6235808 0.75 KIF11 (0.65) KIF11
SCHEMBL4414108 0.75 KIF11 (0.47) KIF11CA12CA9

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed