SCHEMBL2854414

SCHEMBL2854414

CN(C)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KEAP1 Q14145 4/20 0.52
NFE2L2 Q16236 4/20 0.52
GPR6 P46095 1/20 0.52
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPC3 Q13507 2/20 0.46
MALT1 Q9UDY8 1/20 0.45
TRPC1 P48995 1/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
STIM2 Q9P246 1/20 0.44

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
SCHEMBL10366507 0.88 MAPT (0.50) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL10365006 0.86 MAPT (0.72) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL10366449 0.86 MAPT (0.53) MAPTPOLBSMN1; SMN2GPR6ACHE
SCHEMBL13513682 0.85 MAPT (0.57) MAPTPOLBSMN1; SMN2GPR6ACHE
SCHEMBL10365412 0.85 MAPT (0.51) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2923068 0.84 HSD11B1 (0.51) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2856010 0.83 MAPT (0.58) MAPTPOLBSMN1; SMN2GPR6ACHE
SCHEMBL2064195 0.83 MAPT (0.76) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2854321 0.83 MAPT (0.53) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL10364984 0.83 KEAP1 (0.46) MAPTPOLBSMN1; SMN2KEAP1NFE2L2

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 4 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 disclosed
EP-0151866-B1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1990-07-25 EP disclosed
US-4620865-A Herbicidal and algicidal 1,5-disubstituted-1H-pyrazole-4-carboxamides ELI LILLY AND COMPANY (US) 1986-11-04 US disclosed
EP-0151866-A2 Herbicidal pyrazole-(thio)-carboxamides ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed