SCHEMBL30824985

SCHEMBL30824985

COc1ccc(COc2cnc3oc(-c4ccnc(C)n4)nc3c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PDE10A Q9Y233 2/20 0.35
SGMS2 Q8NHU3 2/20 0.34
MBOAT4 Q96T53 1/20 0.34
CSF1R P07333 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
PTGER4 P35408 1/20 0.33
MCHR1 Q99705 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
WNT3A P56704 1/20 0.33
SLC6A3 Q01959 1/20 0.33
APP P05067 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL24713033 1.00 FFAR1 (0.36) FFAR1HDAC1HDAC6HDAC5PDE10A
SCHEMBL17544105 0.85 FFAR1 (0.36) FFAR1HDAC1HDAC6HDAC5PDE10A
SCHEMBL30824948 0.84 FFAR1 (0.36) FFAR1HDAC1HDAC6HDAC5PDE10A
SCHEMBL24713337 0.84 FFAR1 (0.36) FFAR1HDAC1HDAC6HDAC5PDE10A
SCHEMBL17543901 0.80 SMN1; SMN2 (0.46) CYP3A4PDGFRBPDGFRA
SCHEMBL17544232 0.79 PDE10A (0.41) PDE10ACSF1RMCHR1CYP3A4KCNH2
SCHEMBL24713068 0.77 APP (0.33) HDAC1HDAC6HDAC5CSF1RSYK
SCHEMBL30824942 0.77 APP (0.33) HDAC1HDAC6HDAC5CSF1RSYK
SCHEMBL21572846 0.75 APP (0.50) PDE10APTGER4APP
SCHEMBL17553795 0.75 APP (0.41) HDAC1HDAC6HDAC5SYKAURKB

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
CN-117545512-A Deuterated compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-02-09 CN disclosed