SCHEMBL24969675

SCHEMBL24969675

Clc1ccc2sc3cc(-c4ccccc4)ccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.45
IDO1 P14902 1/20 0.43
LIMK1 P53667 3/20 0.41
PIM3 Q86V86 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.40
F9 P00740 2/20 0.39
PGR P06401 1/20 0.39
BCKDK O14874 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ROCK1 Q13464 1/20 0.38
GPR3 P46089 1/20 0.38

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
SCHEMBL25620852 0.93 KDM4E (0.46) KDM4ECYP1A2IDO1LIMK1PIM3
SCHEMBL24969654 0.93 KDM4E (0.46) KDM4ECYP1A2IDO1LIMK1PIM3
SCHEMBL24969655 0.91 CYP1A2 (0.50) KDM4ECYP1A2LIMK1SMN1; SMN2ALDH1A1
SCHEMBL24210393 0.91 KDM4E (0.54) KDM4ECYP1A2IDO1LIMK1PIM3
SCHEMBL28796958 0.88 PIM3 (0.49) CYP1A2LIMK1PIM3SMN1; SMN2ALDH1A1
SCHEMBL9942169 0.88 PIM3 (0.49) CYP1A2LIMK1PIM3SMN1; SMN2ALDH1A1
SCHEMBL23314288 0.87 KDM4E (0.54) KDM4ECYP1A2IDO1LIMK1SMN1; SMN2
SCHEMBL22700472 0.86 NPC1 (0.46) KDM4EIDO1LIMK1SMN1; SMN2ALDH1A1
SCHEMBL15850952 0.86 CYP1A2 (0.58) KDM4ECYP1A2IDO1LIMK1PIM3
SCHEMBL24871078 0.85 NPSR1 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128571-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2024-06-20 WO disclosed
WO-2024013276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 WO disclosed
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed