SCHEMBL13310783

SCHEMBL13310783

Cc1ncc(-c2ccc(-c3ccc(C)c(F)c3)c(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.48
▸ AKR1C2 P52895 2/20 0.48
▸ FEN1 P39748 13/20 0.47
▸ ALOX5AP P20292 11/20 0.47
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ NISCH Q9Y2I1 1/20 0.40
▸ KMO O15229 1/20 0.39

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
SCHEMBL13310775 0.90 NISCH (0.44) AKR1C3AKR1C2PDE3BPDE3ANISCH
SCHEMBL23173084 0.86 AKR1C3 (0.58) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL13703908 0.86 AKR1C3 (0.58) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL13310767 0.85 PDE3B (0.48) FEN1ALOX5APPDE3BPDE3A
SCHEMBL26974251 0.80 AKR1C3 (0.54) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL10024806 0.79 AKR1C3 (0.53) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL803430 0.79 AKR1C3 (0.53) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL4428574 0.79 AKR1C3 (0.53) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL21654544 0.79 PDE3B (0.42) AKR1C3AKR1C2FEN1ALOX5APPDE3B
SCHEMBL22198980 0.77 GRIN2B (0.48) —

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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