SCHEMBL2852820

SCHEMBL2852820

O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.45
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CCR1 P32246 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
CHRNA7 P36544 1/20 0.38
NTRK1 P04629 1/20 0.37
XPO1 O14980 1/20 0.37
GPR6 P46095 1/20 0.37
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ORAI1 Q96D31 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2860522 0.91 MAPT (0.48) MAPTNPSR1RAB9ANPC1CCR1
SCHEMBL2857550 0.91 TMPRSS4 (0.45) TMPRSS4MAPTNPSR1RAB9ANPC1
SCHEMBL2852809 0.90 MAPT (0.39) TMPRSS4MAPTNPSR1RAB9ANPC1
SCHEMBL2856901 0.89 MAPT (0.40) MAPTNPSR1RAB9ANPC1CCR1
SCHEMBL2854596 0.87 TP53 (0.46) MAPTNPSR1CCR1ALDH1A1HTT
SCHEMBL2853065 0.85 NR3C1 (0.46) MAPTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL2854533 0.84 MEN1 (0.46) MAPTNPSR1RAB9ANPC1GPR6
SCHEMBL2854221 0.83 MAPT (0.51) TMPRSS4MAPTNPSR1CCR1ALDH1A1
SCHEMBL2857353 0.82 CCR1 (0.47) MAPTCCR1ALDH1A1GPR6ACHE
SCHEMBL2852244 0.82 MAPT (0.48) MAPTNPSR1ALDH1A1GPR6ACHE

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