SCHEMBL27367924

SCHEMBL27367924

Clc1nc(-c2cc(C3=CC=CCC3)cc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL21178097 0.86 AHR (0.47) AHRMMP12MMP13NPC1RAB9A
SCHEMBL31336570 0.86 AHR (0.47) AHRMMP12MMP13NPC1RAB9A
SCHEMBL25944768 0.85 MEN1 (0.33) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL22541773 0.83 AHR (0.38) AHRNPC1RAB9ATTRKDM4E
SCHEMBL25073441 0.82 AHR (0.42) AHRMMP12MMP13NPC1RAB9A
SCHEMBL21023529 0.82 MEN1 (0.37) AHRMMP12MMP13NPC1RAB9A
SCHEMBL23312802 0.81 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL20566146 0.81 AHR (0.47) AHRMMP12MMP13NPC1RAB9A
SCHEMBL30558021 0.81 AHR (0.47) AHRMMP12MMP13NPC1RAB9A
SCHEMBL22109843 0.81 TTR (0.34) AHRMMP12MMP13TTRKDM4E

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-2023243995-A1 PELLET FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-12-21 WO disclosed