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SCHEMBL22137244

SCHEMBL22137244

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(C#N)cc2)cc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccc(C#N)cc3)ccc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ ABCG2 Q9UNQ0 17/20 0.40
▸ ABCB1 P08183 11/20 0.40
▸ ABCC1 P33527 4/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL27015813 0.98 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364320 0.98 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL22137221 0.97 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL23965912 0.97 KIF11 (0.43) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21364350 0.95 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015801 0.95 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015951 0.95 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL23965911 0.94 KIF11 (0.40) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL21366659 0.93 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A
SCHEMBL27015894 0.93 KIF11 (0.38) KIF11ABCG2ABCB1ABCC1KDM1A

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
EP-3670507-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-06-24 — — EP disclosed