SCHEMBL2850282

SCHEMBL2850282

O=C(Nc1ccc(-c2ccccc2)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MET P08581 1/20 0.55
AXL P30530 1/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR3C1 P04150 3/20 0.53
DPP4 P27487 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
AURKA O14965 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TRPC1 P48995 1/20 0.48
TRPC3 Q13507 1/20 0.48
STIM1 Q13586 1/20 0.48
ORAI1 Q96D31 1/20 0.48
STIM2 Q9P246 1/20 0.48
BRAF P15056 1/20 0.47

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
SCHEMBL2857034 0.93 KDM4E (0.62) KDM4EALDH1A1METAXLMAPT
SCHEMBL2855512 0.85 MALT1 (0.55) KDM4EALDH1A1METAXLMAPT
SCHEMBL2858127 0.85 ALDH1A1 (0.74) KDM4EALDH1A1METAXLMAPT
SCHEMBL28451555 0.84 PRSS12 (0.53) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL5540171 0.83 MAPT (0.58) KDM4EALDH1A1METAXLMAPT
SCHEMBL2856075 0.83 NAMPT (0.56) KDM4EALDH1A1METAXLMAPT
SCHEMBL2861576 0.82 MAPT (0.45) KDM4EALDH1A1METAXLMAPT
SCHEMBL2850892 0.82 NR1H4 (0.53) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL5926448 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852818 0.81 NPC1 (0.50) KDM4EALDH1A1MAPTNR1H4NPC1

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