SCHEMBL16200112

SCHEMBL16200112

Cc1[nH]nc(-n2ccc(C(F)(F)F)n2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.42
NPC1 O15118 5/20 0.36
MAPT P10636 4/20 0.36
IDH1 O75874 5/20 0.35
RAB9A P51151 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
IDH2 P48735 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
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
SCHEMBL13683020 0.75 PRMT6 (0.43) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL30552852 0.71 NPC1 (0.39) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL1922123 0.68 PRMT6 (0.45) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL16200114 0.67 ADORA2A (0.44) NPC1MAPTGAAKDM4E
SCHEMBL535692 0.67 KDM4E (0.40) PRMT6NPC1MAPTRAB9ANPSR1
SCHEMBL8259527 0.66 NPC1 (0.58) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL31364581 0.66 MAPT (0.54) PRMT6NPC1MAPTRAB9ANPSR1
SCHEMBL16574212 0.66 MAPT (0.43) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL6180318 0.66 PRMT6 (0.46) PRMT6NPC1MAPTIDH1RAB9A
SCHEMBL30834464 0.65 PRMT6 (0.39) PRMT6NPC1MAPTIDH1RAB9A

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed