SCHEMBL25567635

SCHEMBL25567635

Clc1cccc2sc3c(-c4ccc(-c5ccccc5)cc4)cccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
CYP2A6 P11509 1/20 0.44
LIMK1 P53667 2/20 0.43
MCL1 Q07820 2/20 0.40
MAPK1 P28482 1/20 0.40
F9 P00740 1/20 0.36
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 1/20 0.34
PARP14 Q460N5 1/20 0.34
PRSS12 P56730 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
OGG1 O15527 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 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
SCHEMBL22019102 0.97 CYP2A6 (0.47) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL25567691 0.91 ALOX5 (0.47) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL25569776 0.88 LIMK1 (0.46) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL21398775 0.87 ALOX5 (0.41) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL25893403 0.86 ALOX5 (0.41) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL23098327 0.85 LIMK1 (0.38) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL24969647 0.84 LIMK1 (0.48) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL30020492 0.83 CYP2A6 (0.39) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL22700612 0.82 PRKCI (0.41) ALOX5CYP2A6LIMK1MCL1MAPK1
SCHEMBL25568104 0.82 CYP2A6 (0.48) ALOX5CYP2A6LIMK1MCL1MAPK14

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