SCHEMBL2859264

SCHEMBL2859264

CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CCR1 P32246 3/20 0.46
PTPN1 P18031 2/20 0.45
GPR6 P46095 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPC3 Q13507 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.42
GRIA2 P42262 1/20 0.41
NR3C1 P04150 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL2854321 0.91 MAPT (0.53) MAPTCCR1PTPN1GPR6POLB
SCHEMBL2854177 0.88 CCR1 (0.58) MAPTCCR1POLBSMN1; SMN2ALDH1A1
SCHEMBL2852358 0.88 ALDH1A1 (0.48) MAPTCCR1PTPN1GPR6POLB
SCHEMBL2854614 0.85 MAPT (0.49) MAPTCCR1GPR6POLBSMN1; SMN2
SCHEMBL2857887 0.83 HSP90AA1 (0.52) MAPTCCR1PTPN1GPR6SMN1; SMN2
SCHEMBL2852994 0.83 ALDH1A1 (0.56) MAPTCCR1GPR6POLBSMN1; SMN2
SCHEMBL2854414 0.82 MAPT (0.53) MAPTCCR1GPR6POLBSMN1; SMN2
SCHEMBL2862087 0.80 MAPT (0.51) MAPTCCR1GPR6POLBSMN1; SMN2
SCHEMBL2856206 0.80 ALDH1A1 (0.48) MAPTCCR1PTPN1GPR6POLB
SCHEMBL10366449 0.79 MAPT (0.53) MAPTCCR1GPR6POLBSMN1; SMN2

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 disclosed