SCHEMBL13310776

SCHEMBL13310776

Cc1ccc(-c2ccc(-c3cnc(C)nc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ ALOX5AP P20292 5/20 0.37
▸ FEN1 P39748 5/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR2E3 Q9Y5X4 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ COMT P21964 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35

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
SCHEMBL172423 0.83 ACHE (0.48) PDE3BPDE3APTGS2RPS6KA3PTGS1
SCHEMBL20929592 0.82 ALOX5AP (0.38) PDE3BPDE3AALOX5APFEN1CYP3A4
SCHEMBL13310790 0.81 CYP3A4 (0.37) PDE3BPDE3AALOX5APFEN1PTGS2
SCHEMBL17570168 0.81 ACHE (0.46) PDE3BPDE3APTGS2RPS6KA3PTGS1
SCHEMBL13310785 0.81 ALOX5AP (0.38) PDE3BPDE3AALOX5APFEN1CYP3A4
SCHEMBL13310767 0.80 PDE3B (0.48) PDE3BPDE3AALOX5APFEN1PTGS2
SCHEMBL10000245 0.77 NPSR1 (0.48) KDM4EHPGDNPSR1MAP4K4KDR
SCHEMBL10000246 0.77 NPSR1 (0.48) KDM4EHPGDNPSR1MAP4K4KDR
SCHEMBL14648803 0.76 PTGS2 (0.39) PDE3BPDE3APTGS2RPS6KA3PTGS1
SCHEMBL10091268 0.75 NPC1 (0.45) ALOX5APFEN1PTGS2PTGS1KDM4E

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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