SCHEMBL23196604

SCHEMBL23196604

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.38
▸ PGR P06401 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ DNMT1 P26358 3/20 0.35
▸ PPARG P37231 3/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPARA Q07869 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 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
SCHEMBL23196595 0.94 KIF11 (0.36) KIF11PGRRORARORCRORB
SCHEMBL23204629 0.94 KIF11 (0.36) KIF11PGRRORARORCRORB
SCHEMBL23204630 0.93 KIF11 (0.37) KIF11PGRRORARORCRORB
SCHEMBL23196589 0.90 CNR2 (0.33) KIF11PPARGCCR4PPARACNR2
SCHEMBL23196598 0.86 MEN1 (0.39) KIF11PGRRORARORCRORB
SCHEMBL30261089 0.85 HTR1D (0.39) KIF11PGRRORARORCRORB
SCHEMBL23196596 0.84 CNR2 (0.33) KIF11PPARGCCR4PPARACNR2
SCHEMBL23196697 0.83 KDM4E (0.43) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL16674263 0.83 KDM4E (0.43) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL16674217 0.83 KDM4E (0.43) LMNAALDH1A1MAPTMAPK1KDM4E

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-2021065491-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2021-04-08 — — WO disclosed
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