SCHEMBL2853465

SCHEMBL2853465

Cc1ccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 6/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TRPC1 P48995 1/20 0.39
TRPC3 Q13507 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
CCR1 P32246 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 3/20 0.38
GPR6 P46095 1/20 0.37

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
SCHEMBL2852353 0.92 RAB9A (0.44) RAB9AMAPTALDH1A1SMN1; SMN2TRPC1
SCHEMBL2857582 0.90 MAPT (0.42) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2859508 0.89 CYP1A2 (0.46) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL2858283 0.89 MAPT (0.43) RAB9AMAPTALDH1A1SMN1; SMN2TRPC1
SCHEMBL2850809 0.89 MAPT (0.43) RAB9AMAPTALDH1A1SMN1; SMN2TRPC1
SCHEMBL2854533 0.87 MEN1 (0.46) RAB9ANPC1MAPTSMN1; SMN2TRPC1
SCHEMBL2852121 0.86 P2RX7 (0.43) RAB9AMAPTSMN1; SMN2TRPC1TRPC3
SCHEMBL2853258 0.85 NPY5R (0.45) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL2850337 0.85 MAPT (0.40) MAPTGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL2850701 0.84 MAPT (0.39) RAB9AMAPTALDH1A1SMN1; SMN2TRPC1

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