SCHEMBL4970529

SCHEMBL4970529

Nc1ccc(C#Cc2cccc(N)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
APP P05067 4/20 0.64
FFAR1 O14842 1/20 0.56
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ADRB2 P07550 1/20 0.49
CYP3A4 P08684 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
PDK1 Q15118 1/20 0.47
HCRTR1 O43613 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
CYP19A1 P11511 2/20 0.42
IKBKB O14920 1/20 0.42
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL9611201 1.00 MAPT (0.67) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL9611202 0.95 FFAR1 (0.59) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL9611198 0.91 MAPT (0.56) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL4968126 0.91 CYP3A4 (0.58) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL29462452 0.88 MAPT (0.62) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL2811255 0.88 MAPT (0.62) MAPTAPPFFAR1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL7919919 0.86 MAPT (0.60) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL17616894 0.85 FFAR1 (0.51) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL11009539 0.85 CA12 (0.57) MAPTAPPFFAR1RAB9AL3MBTL1
SCHEMBL17616895 0.85 FFAR1 (0.51) MAPTAPPFFAR1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
US-6274695-B1 THIN FILM POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-14 US disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed