SCHEMBL25864801

SCHEMBL25864801

CCc1nc2ccccc2n1-c1ccc(-c2ccccc2-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PDE10A Q9Y233 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
PABPC1 P11940 1/20 0.38
RECQL P46063 2/20 0.38
RAB9A P51151 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL23105485 0.94 MEN1 (0.42) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL25651189 0.90 PDE10A (0.43) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL23105486 0.90 MEN1 (0.46) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL25861981 0.89 ESR1 (0.42) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL23105483 0.89 MEN1 (0.45) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL23105620 0.88 PDE10A (0.42) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL23105412 0.87 PDE10A (0.47) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL25651572 0.87 PPARG (0.39) ESR1ESR2PDE10AMAPK1HTT
SCHEMBL25651510 0.87 PDE10A (0.41) PDE10AMAPK1HTTCYP1A2PPARG
SCHEMBL26267804 0.87 CYP1A2 (0.42) MAPK1CYP1A2PPARGMEN1KMT2A

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-2023136586-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 WO disclosed