SCHEMBL20962193

SCHEMBL20962193

Cc1c2ccccc2c(-c2ccc(-c3ccccc3)c3ccccc23)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ ESR2 Q92731 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL29511656 0.84 ACHE (0.45) ESR2RAB9ARCE1CYP2A6GPR84
SCHEMBL15128905 0.84 ACHE (0.45) ESR2RAB9ARCE1CYP2A6GPR84
SCHEMBL4642722 0.81 ACHE (0.52) PDCD1CD274ESR2RAB9ABRD4
SCHEMBL23073575 0.81 PDCD1 (0.36) PDCD1CD274ESR2RAB9ARCE1
SCHEMBL23341150 0.80 PDCD1 (0.35) PDCD1CD274ESR2RAB9ARCE1
SCHEMBL23894715 0.79 ESR2 (0.39) PDCD1CD274ESR2RAB9ARCE1
SCHEMBL20857800 0.78 PARP1 (0.39) ESR2RAB9ARCE1CYP2A6BRD4
SCHEMBL11977703 0.78 ALDH1A1 (0.43) RAB9ARCE1CYP2A6BRD4GPR84
SCHEMBL11978246 0.78 GPR84 (0.37) RAB9ARCE1CYP2A6BRD4GPR84
SCHEMBL3415539 0.78 ALDH1A1 (0.53) ESR2RAB9ARCE1CYP2A6BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3024050-B1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO LTD (KR) 2020-08-12 — — EP disclosed
EP-3477719-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-01-29 — — EP disclosed
EP-3477719-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-05-01 — — EP disclosed
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