SCHEMBL4178442

SCHEMBL4178442

CC(C)(C)c1ccc(C#Cc2cccc(C#Cc3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.53
RARG P13631 2/20 0.53
KIF11 P52732 1/20 0.45
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 2/20 0.41
APP P05067 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
GRM5 P41594 1/20 0.37
RARA P10276 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9562875 0.88 GRM5 (0.51) RARBRARGKIF11TSHRCA12
SCHEMBL12632231 0.87 CA12 (0.53) RARBRARGCA12CA1CA2
SCHEMBL1086002 0.86 RARB (0.62) RARBRARGKIF11MAPTTSHR
SCHEMBL25413986 0.86 RARB (0.65) RARBRARGKIF11MAPTTSHR
SCHEMBL12632166 0.81 CA12 (0.51) RARBRARGCA12CA1CA2
SCHEMBL13692774 0.80 ASIC3 (0.43) RARBRARGMAPTTSHRCA12
SCHEMBL12632215 0.80 FFAR1 (0.54) RARBRARGMAPTTSHRLMNA
SCHEMBL28506019 0.76 RARB (0.55) RARBRARGKIF11MAPTTSHR
SCHEMBL3836566 0.75 KIF11 (0.56) RARBRARGKIF11GRM5NPC1
SCHEMBL12478320 0.75 RARB (0.46) RARBRARGKIF11MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640402-B1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2009-02-11 EP disclosed
US-20060128937-A1 Diamine having quinoxaline unit, polyimide precursor, polyimide and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 US disclosed
EP-1640402-A1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed