SCHEMBL23765013

SCHEMBL23765013

Clc1cccc(-c2ccccc2-c2ccc3sc4cccc(Br)c4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
KDM4E B2RXH2 1/20 0.38
PGR P06401 1/20 0.38
ALOX5 P09917 2/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
LIMK1 P53667 1/20 0.33
MAOB P27338 1/20 0.33
PDK2 Q15119 1/20 0.33
JAK2 O60674 1/20 0.33
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
MAP4K4 O95819 1/20 0.32
F9 P00740 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RORB Q92753 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 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
SCHEMBL31541870 0.92 PGR (0.44) SLC9A1KDM4EPGRALOX5PIM1
SCHEMBL25893635 0.92 PGR (0.44) SLC9A1KDM4EPGRALOX5PIM1
SCHEMBL20391686 0.82 KDM4E (0.40) SLC9A1KDM4EPGRALOX5PIM1
SCHEMBL25907813 0.82 LIMK1 (0.40) SLC9A1PIM1PIM3PIM2LIMK1
SCHEMBL29450779 0.81 KDM4E (0.51) SLC9A1KDM4EPIM1PIM2MAOB
SCHEMBL24232362 0.81 KDM4E (0.51) SLC9A1KDM4EPIM1PIM2MAOB
SCHEMBL18820541 0.81 CA12 (0.40) ALOX5F9
SCHEMBL23314279 0.77 KDM4E (0.51) SLC9A1KDM4EALOX5MAOBJAK2
SCHEMBL17548825 0.76 ALDH1A1 (0.43) SLC9A1PGRALOX5
SCHEMBL24156093 0.75 KDM4E (0.51) SLC9A1KDM4EPGRALOX5PIM1

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