SCHEMBL2854465

SCHEMBL2854465

Cc1c(OC(=O)Nc2ccccc2OC(F)(F)F)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.47
NPC1 O15118 11/20 0.47
PKM P14618 2/20 0.46
P2RY1 P47900 2/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NTRK1 P04629 1/20 0.39

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
SCHEMBL2856979 0.91 RAB9A (0.46) RAB9ANPC1PKMP2RY1MAPT
SCHEMBL2850763 0.87 MAPT (0.48) RAB9ANPC1P2RY1MAPTSMN1; SMN2
SCHEMBL2857472 0.85 ALDH1A1 (0.50) RAB9APKMP2RY1MAPTALDH1A1
SCHEMBL2854815 0.82 MEN1 (0.50) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2858606 0.80 P2RY1 (0.47) P2RY1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2854348 0.80 RAB9A (0.54) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2855775 0.79 P2RY1 (0.44) RAB9ANPC1P2RY1MAPTSMN1; SMN2
SCHEMBL2857897 0.79 MAPT (0.47) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL2854695 0.78 MAPT (0.50) RAB9APKMP2RY1MAPTALDH1A1
SCHEMBL2856355 0.77 RAB9A (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