SCHEMBL23196595

SCHEMBL23196595

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)n3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ DNMT1 P26358 3/20 0.35
▸ METAP2 P50579 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CCR4 P51679 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PLA2G1B P04054 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
SCHEMBL23204629 1.00 KIF11 (0.36) KIF11HTR1DPGRRORARORC
SCHEMBL23204630 0.98 KIF11 (0.37) KIF11HTR1DPGRRORARORC
SCHEMBL23196604 0.94 KIF11 (0.38) KIF11HTR1DPGRRORARORC
SCHEMBL30261089 0.90 HTR1D (0.39) KIF11HTR1DPGRRORARORC
SCHEMBL23196598 0.88 MEN1 (0.39) KIF11PGRRORARORCRORB
SCHEMBL23196589 0.84 CNR2 (0.33) KIF11CCR4ALDH1A1HPGDHSD17B10
SCHEMBL31666376 0.83 KIF11 (0.35) KIF11PGRRORARORCRORB
SCHEMBL24412640 0.79 HTR1D (0.38) KIF11HTR1DPGRRORARORC
SCHEMBL17640974 0.79 MAPT (0.33) KIF11HTR1DPGRRORARORC
SCHEMBL23196596 0.78 CNR2 (0.33) KIF11CCR4ALDH1A1HPGDHSD17B10

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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