SCHEMBL2854006

SCHEMBL2854006

CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TRPC1 P48995 1/20 0.51
TRPC3 Q13507 1/20 0.51
STIM1 Q13586 1/20 0.51
ORAI1 Q96D31 1/20 0.51
STIM2 Q9P246 1/20 0.51
MALT1 Q9UDY8 3/20 0.48

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
SCHEMBL2850770 0.90 TRPC1 (0.53) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL2855555 0.87 TRPC1 (0.61) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL2852124 0.85 TRPC1 (0.51) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL1335150 0.85 HPGD (0.69) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL30147756 0.85 HPGD (0.69) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL2854476 0.82 MALT1 (0.56) KDM4ESMN1; SMN2GAAMALT1
SCHEMBL2854123 0.82 TRPC1 (0.63) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL2856215 0.81 MAPT (0.66) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL2852073 0.80 MAPT (0.71) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL10364566 0.78 KDM4E (0.52) NPC1RAB9ATP53HPGDALDH1A1

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