SCHEMBL9611202

SCHEMBL9611202

Nc1cccc(C#Cc2ccc(C#Cc3cccc(N)c3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
MAPT P10636 2/20 0.58
APP P05067 3/20 0.55
CYP3A4 P08684 2/20 0.52
CASP1 P29466 1/20 0.52
RECQL P46063 1/20 0.52
ADRB2 P07550 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
PDK1 Q15118 1/20 0.50
HCRTR1 O43613 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
IKBKB O14920 1/20 0.44
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL4970529 0.95 MAPT (0.67) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL9611201 0.95 MAPT (0.67) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL4968126 0.95 CYP3A4 (0.58) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL29462452 0.93 MAPT (0.62) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL2811255 0.93 MAPT (0.62) FFAR1MAPTAPPCYP3A4CASP1
Hydrochloric Acid SCHEMBL7919919 0.91 MAPT (0.60) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL17616894 0.89 FFAR1 (0.51) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL11009539 0.89 CA12 (0.57) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL9195087 0.89 FFAR1 (0.51) FFAR1MAPTAPPCYP3A4CASP1
SCHEMBL17616895 0.89 FFAR1 (0.51) FFAR1MAPTAPPCYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
US-8730435-B2 Liquid crystal display device having retardation film formed of liquid crystalline polyimide having photoreactive group JNC CORPORATION (JP) 2014-05-20 US disclosed
US-8730435-B2 Liquid crystal display device having retardation film formed of liquid crystalline polyimide having photoreactive group JNC CORPORATION (JP) 2014-05-20 US disclosed
US-20120133871-A1 RETARDATION FILM BASED ON OPTICALLY ALIGNED LIQUID CRYSTALLINE POLYIMIDE AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120133871-A1 RETARDATION FILM BASED ON OPTICALLY ALIGNED LIQUID CRYSTALLINE POLYIMIDE AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120113338-A1 LIQUID CRYSTAL DISPLAY DEVICE HAVING RETARDATION FILM FORMED OF LIQUID CRYSTALLINE POLYIMIDE HAVING PHOTOREACTIVE GROUP JNC PETROCHEMICAL CORPORATION (JP) 2012-05-10 US disclosed
US-20120113338-A1 LIQUID CRYSTAL DISPLAY DEVICE HAVING RETARDATION FILM FORMED OF LIQUID CRYSTALLINE POLYIMIDE HAVING PHOTOREACTIVE GROUP JNC PETROCHEMICAL CORPORATION (JP) 2012-05-10 US disclosed