SCHEMBL8564808

SCHEMBL8564808

CCOc1cccc(C#N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL16958369 0.88 NPC1 (0.39) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL17727986 0.86 ALDH1A1 (0.40) NPC1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL7267959 0.84 CYP1A2 (0.46) ARNPC1RAB9AALDH1A1MAPT
SCHEMBL11566544 0.83 ALDH1A1 (0.49) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL5451 0.82 SMN1; SMN2 (0.51) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL30283197 0.82 SMN1; SMN2 (0.51) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL16951877 0.81 CYP1A2 (0.43) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL1579020 0.81 AR (0.47) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL21728082 0.81 AR (0.43) ARNPC1RAB9AALDH1A1LMNA
SCHEMBL13485291 0.81 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAHSD17B10

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-20230145826-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-11 US disclosed
US-20230145826-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-11 US disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
US-5776576-A Phthalaocyanine compound as a layer in optical recording medium Shirai, Hirofusa (JP) 1998-07-07 US disclosed
US-5763601-A SOLUBILITY, PURITY Shirai, Hirofusa (JP) 1998-06-09 US disclosed
US-5633370-A Naphthalocyanine compounds, naphthalocyanine polymers and method for making Shirai, Hirofusa (JP) 1997-05-27 US disclosed
US-5618930-A PHTHALOCYANINE COMPOUNDS HAVING IMPROVED SOLUBILITY AND HIGH PURITY Shirai, Hirofusa (JP) 1997-04-08 US disclosed
US-5516900-A IMPROVED SOLUBILITY AND PURITY Shirai, Hirofusa (JP) 1996-05-14 US disclosed
US-4152171-A CRYSTAL GROWTH INHIBITORS CIBA-GEIGY CORPORATION (US) 1979-05-01 US disclosed