SCHEMBL25567688

SCHEMBL25567688

Clc1cccc2c1sc1ccc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
ALOX5 P09917 1/20 0.40
PIM3 Q86V86 3/20 0.37
CYP2A6 P11509 1/20 0.34
PIM1 P11309 3/20 0.34
PIM2 Q9P1W9 3/20 0.34
RORB Q92753 1/20 0.34
ESR2 Q92731 1/20 0.33
PRSS12 P56730 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 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
SCHEMBL22701806 0.90 LIMK1 (0.47) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL25567737 0.90 LIMK1 (0.47) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701898 0.89 LIMK1 (0.46) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701855 0.88 LIMK1 (0.45) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL24787556 0.82 ALOX5 (0.40) LIMK1ALOX5PIM3CYP2A6PIM1
SCHEMBL20041175 0.82 ALOX5 (0.47) LIMK1ALOX5PIM3MEN1NPC1
SCHEMBL22195787 0.81 LIMK1 (0.42) LIMK1PIM3PIM1PIM2RORB
SCHEMBL23623297 0.80 ALOX5 (0.55) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL29993235 0.80 ALOX5 (0.55) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701889 0.80 ALOX5 (0.46) ALOX5CYP2A6RORBPRSS12RAB9A

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