SCHEMBL25824622

SCHEMBL25824622

Clc1ccc2cc(Br)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PSMB8 P28062 4/20 0.41
PIK3CG P48736 1/20 0.41
APP P05067 1/20 0.41
AHR P35869 5/20 0.39
CYP2A6 P11509 1/20 0.38
PSMB5 P28074 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37
MIF P14174 2/20 0.37
F2RL3 Q96RI0 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL25824461 0.83 MAOB (0.55) CA12CA9APPLMNACYP1A2
SCHEMBL17401001 0.74 CA12 (0.46) CA12CA9PSMB8PIK3CGAPP
SCHEMBL8155015 0.74 CA12 (0.50) CA12CA9PSMB8PIK3CGAPP
SCHEMBL12100188 0.74 F2RL3 (0.43) CA12CA9APPAHRCYP2A6
SCHEMBL2091437 0.74 CA12 (0.46) CA12CA9PSMB8PIK3CGAPP
SCHEMBL28843596 0.74 APP (0.41) CA12CA9APPLMNACYP1A2
SCHEMBL11196728 0.74 MAOB (0.47) PSMB8APPCYP2A6CYP1A2MAPT
SCHEMBL31683041 0.71 CA12 (0.35) CA12CA9MAOB
SCHEMBL15842521 0.71 MAOB (0.72) CA12CA9CYP1A2MAOBMIF
SCHEMBL21355070 0.71 CA12 (0.44) CA12CA9PSMB8PIK3CGAPP

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
WO-2023132488-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 WO disclosed