SCHEMBL24155753

SCHEMBL24155753

Clc1ccc2cc3ocnc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
DYRK1A Q13627 2/20 0.39
NR4A2 P43354 1/20 0.38
PIK3CG P48736 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PSMB8 P28062 2/20 0.33
MCHR1 Q99705 2/20 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
SCHEMBL4154736 0.79 NQO2 (0.46) DYRK1AMAPTALOX15ALDH1A1CHRNB2
SCHEMBL593252 0.79 DYRK1A (0.49) DYRK1ANR4A2PIK3CGLMNACYP1A2
SCHEMBL1586683 0.79 DYRK1A (0.49) DYRK1ANR4A2PIK3CGLMNACYP1A2
SCHEMBL1156058 0.79 NQO2 (0.50) DYRK1AMAPTALDH1A1CHRNB2CHRNA4
SCHEMBL29941475 0.79 DYRK1A (0.49) DYRK1ANR4A2PIK3CGLMNACYP1A2
SCHEMBL11781360 0.79 CYP2A6 (0.41) CYP2A6DYRK1ACYP1A2MAPTPIK3R1
Ammonia Solution, Strong SCHEMBL28837684 0.77 DYRK1A (0.47) DYRK1ANR4A2PIK3CGLMNACYP1A2
SCHEMBL29521347 0.71 DYRK1A (0.47) DYRK1AMAPTALDH1A1CHRNB2CHRNA4
SCHEMBL26450262 0.71 AHR (0.50) DYRK1APIK3CGLMNAALDH1A1KMT2A
SCHEMBL26450316 0.71 AHR (0.54) DYRK1ALMNACYP1A2MAPTTHRB

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-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed