SCHEMBL13683020

SCHEMBL13683020

Cc1c(Cl)c(-n2ccc(C(F)(F)F)n2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.43
MAPT P10636 5/20 0.37
NPC1 O15118 5/20 0.37
IDH1 O75874 5/20 0.36
IDH2 P48735 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
MBOAT4 Q96T53 1/20 0.35
RAB9A P51151 4/20 0.35
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13683025 0.79 RAB9A (0.42) MAPTNPC1NPSR1RAB9AHTT
SCHEMBL16200112 0.75 PRMT6 (0.42) PRMT6MAPTNPC1IDH1IDH2
SCHEMBL16200338 0.74 POLB (0.34) MAPTNPC1RAB9AHTTPOLB
SCHEMBL13683141 0.73 ALDH1A1 (0.32) POLB
SCHEMBL13683019 0.68 NOTUM (0.43) POLB
SCHEMBL13683028 0.68 ADORA2A (0.44) MAPTNPC1POLBKDM4E
SCHEMBL535692 0.68 KDM4E (0.40) PRMT6MAPTNPC1NPSR1RAB9A
SCHEMBL8259527 0.67 NPC1 (0.58) PRMT6MAPTNPC1IDH1IDH2
SCHEMBL31364581 0.67 MAPT (0.54) PRMT6MAPTNPC1NPSR1RAB9A
SCHEMBL16574212 0.67 MAPT (0.43) PRMT6MAPTNPC1IDH1IDH2

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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed