SCHEMBL2856128

SCHEMBL2856128

Cn1nc(-c2ccccc2)cc1NC(=O)Oc1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 1/20 0.43
NTRK1 P04629 2/20 0.43
POLB P06746 2/20 0.41
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
MAPK14 Q16539 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2849954 0.90 MAPT (0.46) GRM5MAPTRAB9ANTRK1POLB
SCHEMBL2858621 0.87 MAPT (0.48) GRM5MAPTRAB9ANTRK1POLB
SCHEMBL2860487 0.85 NTRK1 (0.42) GRM5MAPTRAB9ANTRK1POLB
SCHEMBL2855950 0.78 POLB (0.41) MAPTRAB9APOLBMAPK14KEAP1
SCHEMBL2852952 0.76 SMN1; SMN2 (0.38) MAPTRAB9APOLBNPSR1MAPK14
SCHEMBL2852941 0.75 POLB (0.44) MAPTRAB9APOLBCACNA1GCACNA1H
SCHEMBL2855716 0.75 KEAP1 (0.46) MAPTRAB9APOLBKEAP1NFE2L2
SCHEMBL2848489 0.73 POLB (0.44) MAPTRAB9APOLBMAPK14KEAP1
SCHEMBL2854269 0.73 RAB9A (0.46) MAPTRAB9APOLBALDH1A1
SCHEMBL2850725 0.73 MAPT (0.54) MAPTPOLBNPSR1KEAP1NFE2L2

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