SCHEMBL28654162

SCHEMBL28654162

Cc1cccc(N(c2cccc(C)c2)c2cccc(C(=O)c3cccc(N(c4cccc(C)c4)c4cccc(C)c4)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ CNR2 P34972 3/20 0.46
▸ HSD17B1 P14061 3/20 0.46
▸ HSD17B2 P37059 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42

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
SCHEMBL133412 0.91 HSD17B1 (0.45) POLBPARP1CNR2HSD17B1HSD17B2
SCHEMBL13781004 0.89 POLB (0.43) POLBPARP1CNR2HSD17B1HSD17B2
SCHEMBL13781015 0.87 LMNA (0.47) POLBPARP1CNR2HSD17B1HSD17B2
SCHEMBL13780980 0.86 TDP1 (0.47) POLBCNR2HSD17B1HSD17B2TDP1
SCHEMBL13780986 0.83 L3MBTL1 (0.53) POLBCNR2TDP1HPGDATM
SCHEMBL27828940 0.82 L3MBTL1 (0.61) TDP1HPGDATML3MBTL1CYP3A4
SCHEMBL9188288 0.82 HSD17B1 (0.44) PARP1HSD17B1HSD17B2TDP1HPGD
SCHEMBL9853340 0.82 DHODH (0.45) POLBPARP1HSD17B1HSD17B2TDP1
SCHEMBL186545 0.82 PARP1 (0.68) POLBPARP1CNR2TDP1HPGD
SCHEMBL29503529 0.82 PARP1 (0.68) POLBPARP1CNR2TDP1HPGD

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
CN-113402462-A Condensed ring compound, preparation method and application thereof, co-host material, light-emitting composition, light-emitting device, lighting device and display device 中国石油化工股份有限公司 2021-09-17 — — CN disclosed
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