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SCHEMBL21452086

SCHEMBL21452086

c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4cc5c6ccc(N(c7cccc(-c8ccccc8)c7)c7cccc(-c8ccccc8)c7)cc6n6c7ccc(-c8ccccc8)cc7c(c4c3)c56)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ PIM1 P11309 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
SCHEMBL21452081 0.90 ESR1 (0.31) CDK4CCND1ESR1ESR2
SCHEMBL23029008 0.88 CASR (0.35) TSPO
SCHEMBL21452137 0.88 NR3C1 (0.32) —
SCHEMBL23029166 0.87 TSPO (0.31) TSPO
SCHEMBL21451864 0.85 MDM2 (0.32) —
SCHEMBL23029165 0.84 — —
SCHEMBL21451707 0.82 — —
SCHEMBL23029135 0.82 MAOB (0.31) TSPO
SCHEMBL21451690 0.80 ABCG2 (0.30) —
SCHEMBL22109557 0.79 TSPO (0.33) ESR1ESR2TSPOCYP1A2CYP3A4

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-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 — — WO disclosed