SCHEMBL20006650

SCHEMBL20006650

CNc1ccc(-n2ccc(C(F)(F)F)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PRMT6 Q96LA8 1/20 0.39
POLB P06746 1/20 0.38
IDH1 O75874 4/20 0.38
IDH2 P48735 1/20 0.38
SCN9A Q15858 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
BACE1 P56817 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL29402753 0.80 PRMT6 (0.44) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL6179075 0.80 PRMT6 (0.44) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL12969074 0.78 NPC1 (0.59) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL30492741 0.77 PRMT6 (0.44) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL10162249 0.77 IDH1 (0.40) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL20392745 0.77 IDH1 (0.40) MAPTNPC1RAB9APRMT6IDH1
SCHEMBL28535799 0.75 GCGR (0.45) MAPTKDM4EGAA
SCHEMBL16180341 0.73 KCNJ1 (0.49) MAPTNPC1RAB9ANPSR1HTT
SCHEMBL8171100 0.73 TRPV4 (0.52)
SCHEMBL10130925 0.73 IDH1 (0.38) MAPTNPC1RAB9APRMT6IDH1

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-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed