SCHEMBL23765004

SCHEMBL23765004

Clc1cccc2sc3cccc(-c4cccc(-c5cccc(-c6ccccc6Br)c5)c4)c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ELANE P08246 1/20 0.36
LIMK1 P53667 1/20 0.35
MCL1 Q07820 1/20 0.34
RORB Q92753 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2A6 P11509 1/20 0.33
OGG1 O15527 1/20 0.31
ALOX5 P09917 1/20 0.31
SCN9A Q15858 1/20 0.31
SMO Q99835 1/20 0.31
GCGR P47871 1/20 0.30
MAPK14 Q16539 1/20 0.30
PRSS12 P56730 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24968705 0.81 CYP2A6 (0.52) MAPK1ALDH1A1LIMK1MCL1HSD11B1
SCHEMBL21742743 0.81 ALDH1A1 (0.44) MAPK1ALDH1A1LIMK1MCL1ALOX5
SCHEMBL17875158 0.77 ALOX5 (0.44) MAPK1ALDH1A1LIMK1ALOX5HPGD
SCHEMBL21282023 0.76 MAPK1 (0.44) MAPK1ALDH1A1ELANEMCL1CYP2A6
SCHEMBL23533675 0.75 MAPK1 (0.52) MAPK1ALDH1A1ELANEALOX5GCGR
SCHEMBL23764952 0.74 CYP2A6 (0.38) MAPK1ALDH1A1LIMK1HSD11B1CYP2A6
SCHEMBL17709510 0.74 ALDH1A1 (0.71) MAPK1ALDH1A1LMNAHPGDTSHR
SCHEMBL26188508 0.73 RAB9A (0.40) ALDH1A1LIMK1ALOX5GCGRMAPK14
SCHEMBL25567689 0.72 CYP2A6 (0.42) MAPK1ALDH1A1LIMK1MCL1CYP2A6
SCHEMBL25567691 0.72 ALOX5 (0.47) MAPK1LIMK1MCL1RORBCYP2A6

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-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 WO disclosed