SCHEMBL2854162

SCHEMBL2854162

O=C(Nc1ccc2ncccc2c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
MALT1 Q9UDY8 19/20 0.56

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
SCHEMBL2852783 0.89 TMPRSS4 (0.57) MALT1
SCHEMBL2852636 0.84 NPC1 (0.46) NPC1HTTRAB9AMALT1
SCHEMBL2856075 0.81 NAMPT (0.56) RAB9AMALT1
SCHEMBL2852805 0.81 KDR (0.56) HTTMALT1
SCHEMBL2857034 0.81 KDM4E (0.62) NPC1RAB9A
SCHEMBL2855512 0.80 MALT1 (0.55) MALT1
SCHEMBL2852818 0.79 NPC1 (0.50) NPC1RAB9AMALT1
SCHEMBL13513708 0.79 KDM4E (0.53) MALT1
SCHEMBL2850282 0.79 KDM4E (0.58) NPC1RAB9A
SCHEMBL2850859 0.79 KEAP1 (0.51) MALT1

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