SCHEMBL30724565

SCHEMBL30724565

Clc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
TSPO P30536 2/20 0.37
CYP2A6 P11509 1/20 0.37
DNM1 Q05193 1/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
NR1H2 P55055 1/20 0.33
ESR2 Q92731 1/20 0.33
CCR2 P41597 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL30724555 0.93 MAPK14 (0.42) MAPK14CYP2A6ATML3MBTL1KDM4E
SCHEMBL24999738 0.93 MAPK14 (0.42) MAPK14CYP2A6ATML3MBTL1KDM4E
SCHEMBL30724551 0.92 MAPK14 (0.40) MAPK14CYP2A6DNM1ATML3MBTL1
SCHEMBL22876298 0.89 ATM (0.44) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL22876426 0.89 ATM (0.44) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL25671847 0.89 ATM (0.44) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL30256945 0.88 DNM1 (0.46) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL17714934 0.88 DNM1 (0.46) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL22172829 0.88 KDM4E (0.41) MAPK14TSPODNM1ATML3MBTL1
SCHEMBL22172908 0.88 KDM4E (0.41) MAPK14TSPODNM1ATML3MBTL1

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-2024014660-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-18 WO disclosed