SCHEMBL2861646

SCHEMBL2861646

O=C(Nc1cccc(F)c1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRAF P15056 1/20 0.40
HTR2A P28223 1/20 0.40
NPY5R Q15761 1/20 0.39
TP53 P04637 2/20 0.38
CDK8 P49336 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MTOR P42345 1/20 0.38
P2RY1 P47900 1/20 0.37
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL2854269 0.91 RAB9A (0.46) NPC1RAB9AMAPTGAABRAF
SCHEMBL2856867 0.89 NPC1 (0.53) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL2854572 0.88 RAB9A (0.44) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL2853595 0.86 LMNA (0.44) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL2854620 0.86 CA1 (0.43) RIPK1
SCHEMBL2859362 0.86 P2RX1 (0.48) MAPTGAAKDM4EBRAFNPY5R
SCHEMBL2855275 0.84 MAPT (0.45) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL2852799 0.82 ALDH1A1 (0.46) NPC1RAB9AMAPTKDM4EBRAF
SCHEMBL2857337 0.82 KMT2A (0.43) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL2858606 0.81 P2RY1 (0.47) MAPTGAAKDM4EP2RY1

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