SCHEMBL2856974

SCHEMBL2856974

CC(C)(C)c1ccc(NC(=O)Oc2cnn(-c3cccc(Cl)n3)c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.36
GPX4 P36969 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL2852553 0.87 MALT1 (0.40) MAPTNPSR1SMN1; SMN2TRPV1MEN1
SCHEMBL2862979 0.85 TRPV1 (0.44) SMN1; SMN2GAATRPV1KDM4E
SCHEMBL2854492 0.83 MAPT (0.42) MAPTNPSR1SMN1; SMN2RAB9AGAA
SCHEMBL2848538 0.83 MAPT (0.45) MAPTNPSR1SMN1; SMN2RAB9ATRPV1
SCHEMBL2857917 0.83 MAPT (0.42) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2861607 0.82 TRPV1 (0.42) SMN1; SMN2TRPV1MEN1KMT2AL3MBTL1
SCHEMBL2862993 0.81 MEN1 (0.41) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL2852401 0.80 L3MBTL1 (0.39) NPSR1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2853347 0.79 TRPV1 (0.41) MAPTTRPV1
SCHEMBL2852387 0.79 P2RX7 (0.37) MAPTGAAKEAP1NFE2L2KDM4E

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