SCHEMBL24948974

SCHEMBL24948974

Clc1cccc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3c4ccccc4ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
BAD Q92934 2/20 0.39
CYP1A2 P05177 5/20 0.37
CYP1B1 Q16678 5/20 0.37
CYP1A1 P04798 4/20 0.37
BCL2L1 Q07817 1/20 0.36
PTGES O14684 1/20 0.35
PGR P06401 1/20 0.34
BMX P51813 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PARP1 P09874 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A9 P48067 1/20 0.33
APAF1 O14727 1/20 0.33
MDM2 Q00987 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 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
SCHEMBL24947199 0.91 PTGES (0.41) CYP1A2CYP1B1CYP1A1PTGESBMX
SCHEMBL24948964 0.91 PTGES (0.41) CYP1A2CYP1B1CYP1A1PTGESBMX
SCHEMBL24948973 0.88 CYP1A2 (0.40) MCL1BADCYP1A2CYP1B1CYP1A1
SCHEMBL24949564 0.88 MCL1 (0.41) MCL1BADCYP1A2CYP1B1CYP1A1
SCHEMBL24947191 0.87 TAAR1 (0.41) MCL1BADPGRKDM4ELMNA
SCHEMBL22927007 0.83 KDM4E (0.38) CYP1A2CYP1A1PTGESKDM4ELMNA
SCHEMBL24947552 0.81 CA12 (0.32) MCL1
SCHEMBL30724561 0.81 MAPK14 (0.35) MCL1BADCYP1A2CYP1B1CYP1A1
SCHEMBL30256937 0.80 CYP1A2 (0.39) CYP1A2BMXSLC6A9APAF1MDM2
SCHEMBL19266448 0.79 TDP1 (0.39) CYP1A2CYP1B1CYP1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed