SCHEMBL15166326

SCHEMBL15166326

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.41
▸ KIF11 P52732 3/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38

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
SCHEMBL17465502 0.97 DHODH (0.44) DHODHKIF11PTGESALOX5CYP2D6
SCHEMBL17465475 0.97 DHODH (0.44) DHODHKIF11PTGESALOX5CYP2D6
SCHEMBL17465507 0.97 DHODH (0.44) DHODHKIF11PTGESALOX5CYP2D6
SCHEMBL15641761 0.93 PTGES (0.43) DHODHKIF11PTGESALOX5CYP2D6
SCHEMBL15641753 0.93 PTGES (0.43) DHODHKIF11PTGESALOX5CYP2D6
SCHEMBL14653706 0.91 KIF11 (0.47) KIF11PTGESALOX5CYP2D6MEN1
SCHEMBL12780882 0.91 KIF11 (0.47) KIF11PTGESALOX5CYP2D6MEN1
SCHEMBL17780059 0.91 KIF11 (0.47) KIF11PTGESALOX5CYP2D6MEN1
SCHEMBL14447686 0.91 KIF11 (0.47) KIF11PTGESALOX5CYP2D6MEN1
SCHEMBL6825704 0.91 KIF11 (0.47) KIF11PTGESALOX5CYP2D6MEN1

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
US-8502199-B2 Blue-shifted triarylamine polymer CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-08-06 — — US disclosed
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