SCHEMBL24155396

SCHEMBL24155396

Clc1ccc(-c2ccc3ncsc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.60
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
APP P05067 1/20 0.46
RIPK1 Q13546 1/20 0.46
FFAR1 O14842 1/20 0.45
AKT1 P31749 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
VRK1 Q99986 1/20 0.44

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
SCHEMBL31214345 0.88 DYRK1A (0.72) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL24155567 0.84 DYRK1A (0.55) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL14127183 0.84 NPC1 (0.54) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL593507 0.84 NPC1 (0.54) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL6032917 0.83 DYRK1A (0.62) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL3493309 0.82 APP (0.51) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL16573976 0.81 DYRK1A (0.60) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL22130152 0.81 DYRK1A (0.70) DYRK1ANPC1RAB9AKDM4EHKDC1
SCHEMBL6658073 0.81 DYRK1A (0.60) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL27558183 0.81 DYRK1A (0.60) DYRK1ANPC1RAB9AMEN1KMT2A

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