SCHEMBL2852636

SCHEMBL2852636

O=C(Nc1ccc2ncccc2c1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ORAI1 Q96D31 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MALT1 Q9UDY8 3/20 0.41
PABPC1 P11940 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAT2A P31153 1/20 0.40
MET P08581 1/20 0.40
MST1R Q04912 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2854798 0.89 MEN1 (0.47) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2852244 0.84 MAPT (0.48) MAPTMEN1KMT2APOLBORAI1
SCHEMBL2854162 0.84 NPC1 (0.58) NPC1RAB9AHTTMALT1
SCHEMBL2853154 0.83 MAPT (0.44) MAPTMEN1KMT2APOLBORAI1
SCHEMBL2850258 0.83 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL2858436 0.82 MEN1 (0.46) NPC1RAB9AHTTMAPTMEN1
SCHEMBL2850858 0.82 KDR (0.48) RAB9AHTTMAPTMEN1KMT2A
SCHEMBL2860975 0.82 MAPT (0.49) NPC1MAPTMEN1KMT2APOLB
SCHEMBL2848317 0.82 MAPT (0.46) NPC1MAPTMEN1KMT2APOLB
SCHEMBL2854221 0.81 MAPT (0.51) MAPTMEN1KMT2ANPSR1KDM4E

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