SCHEMBL25569776

SCHEMBL25569776

Clc1cccc2c1sc1cccc(-c3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.46
CYP2A6 P11509 3/20 0.44
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
F9 P00740 1/20 0.36
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 3/20 0.34
PRSS12 P56730 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
DHODH Q02127 1/20 0.33
SLC9A1 P19634 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL24969647 0.97 LIMK1 (0.48) LIMK1CYP2A6ALOX5MAPK1MCL1
SCHEMBL23765008 0.88 PLK4 (0.35) LIMK1CYP2A6ALOX5MAPK1MCL1
SCHEMBL25567463 0.88 CA12 (0.42) LIMK1CYP2A6ALOX5MCL1CYP1A2
SCHEMBL25567635 0.88 ALOX5 (0.46) LIMK1CYP2A6ALOX5MAPK1MCL1
SCHEMBL22019102 0.84 CYP2A6 (0.47) LIMK1CYP2A6ALOX5MAPK1MCL1
SCHEMBL29828816 0.83 CYP2A6 (0.39) LIMK1CYP2A6ALOX5F9MAPK14
SCHEMBL25568104 0.82 CYP2A6 (0.48) LIMK1CYP2A6ALOX5MCL1MAPK14
SCHEMBL22129988 0.82 GPR3 (0.43) CYP2A6ALOX5MAPK1MCL1CYP1A2
SCHEMBL28965024 0.82 GPR3 (0.46) LIMK1ALOX5MCL1F9TNKS
SCHEMBL24968705 0.82 CYP2A6 (0.52) LIMK1CYP2A6MAPK1MCL1F9

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-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 WO disclosed