SCHEMBL2856979

SCHEMBL2856979

COc1ccc(-n2ncc(OC(=O)Nc3ccccc3OC(F)(F)F)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
P2RY1 P47900 4/20 0.44
HIF1A Q16665 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 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
SCHEMBL2854465 0.91 RAB9A (0.47) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2852417 0.84 MAPT (0.49) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2858606 0.82 P2RY1 (0.47) MAPTSMN1; SMN2P2RY1KDM4EGAA
SCHEMBL2859099 0.81 NPC1 (0.50) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2850131 0.81 RAB9A (0.61) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2850763 0.79 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2P2RY1
SCHEMBL2860460 0.78 MAPT (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL2855775 0.77 P2RY1 (0.44) RAB9ANPC1MAPTSMN1; SMN2P2RY1
SCHEMBL2857472 0.77 ALDH1A1 (0.50) RAB9APKMMAPTP2RY1MAPK14
SCHEMBL2853093 0.76 NPC1 (0.52) RAB9ANPC1PKMMAPTSMN1; SMN2

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed