SCHEMBL13310790

SCHEMBL13310790

Cc1ncc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ ALOX5AP P20292 5/20 0.35
▸ FEN1 P39748 5/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ PTGS2 P35354 3/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL20929592 0.91 ALOX5AP (0.38) CYP3A4CYP2C19CYP2A6CYP2B6ALOX5AP
SCHEMBL13310785 0.89 ALOX5AP (0.38) CYP3A4CYP2C19CYP2A6CYP2B6ALOX5AP
SCHEMBL803253 0.82 PTGS2 (0.38) ALOX5APFEN1PTGS2
SCHEMBL13310776 0.81 PDE3B (0.39) CYP3A4CYP2C19CYP2A6CYP2B6NCOR2
SCHEMBL19154379 0.80 PTGS2 (0.45) CYP3A4CYP2C19CYP2A6CYP2B6ALOX5AP
SCHEMBL13310780 0.79 NPSR1 (0.36) CYP3A4CYP2C19CYP2A6CYP2B6ABL1
SCHEMBL17548830 0.79 PTGS2 (0.40) PDE3BPDE3APTGS2
SCHEMBL4549715 0.79 PTGS2 (0.40) PDE3BPDE3APTGS2
SCHEMBL4489662 0.77 FEN1 (0.51) CYP3A4CYP2C19CYP2A6CYP2B6ALOX5AP
SCHEMBL14211939 0.77 PTGS2 (0.39) PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8405799-B2 Polymer-stabilized liquid crystal composition, liquid crystal display device, method for producing liquid crystal display device DIC CORPORATION (JP) 2013-03-26 — — US disclosed
US-20100149446-A1 POLYMER-STABILIZED LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2010-06-17 — — US disclosed
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