SCHEMBL2850508

SCHEMBL2850508

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.48
DDR1 Q08345 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
DDR2 Q16832 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47
MAP3K2 Q9Y2U5 1/20 0.47
KLKB1 P03952 1/20 0.45
CASR P41180 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
IDH1 O75874 1/20 0.43
PSMD14 O00487 1/20 0.43

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
SCHEMBL2853347 0.84 TRPV1 (0.41) CCR1MAPK14ALDH1A1IDH1PSMD14
SCHEMBL2859298 0.82 DDR1 (0.49) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2855580 0.81 CCR1 (0.62) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2861147 0.81 KDM4E (0.67) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2854820 0.80 MAPK14 (0.47) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2850153 0.79 KDM4E (0.63) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2850226 0.78 MALT1 (0.56)
SCHEMBL2850548 0.78 CCR1 (0.61) CCR1DDR1MAPK11MAPK14DDR2
SCHEMBL2295633 0.78 MAPT (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2855376 0.78 CCR1 (0.60) CCR1

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 2 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 claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed