SCHEMBL21323866

SCHEMBL21323866

C(=C/c1cnc2ccccc2n1)\CCc1ccn(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.65
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PAX8 Q06710 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CASR P41180 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34

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
SCHEMBL7510693 0.79 PDE10A (1.00) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL15023873 0.79 PDE10A (0.55) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL15023874 0.79 PDE10A (0.55) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL15023872 0.79 PDE10A (0.55) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL19669682 0.74 PDE10A (0.65) PDE10ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6847686 0.67 RHOA (0.55) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL16826884 0.67 RAB9A (0.51) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL6847690 0.67 RHOA (0.55) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL16826886 0.67 RAB9A (0.51) PDE10ARAB9ANPC1PAX8CYP2C9
SCHEMBL14736545 0.65 PDE10A (0.56) PDE10AHDAC3HDAC1HDAC2HDAC10

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-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed