SCHEMBL75079

SCHEMBL75079

Nc1c[c]c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 4/20 0.44
CASP1 P29466 3/20 0.43
ALOX15 P16050 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR3A P46098 1/20 0.36
AOC3 Q16853 2/20 0.35
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2254351 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4CASP1ALOX15
SCHEMBL2314445 0.76 MAPT (0.35) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL456729 0.74 CYP2A6 (0.46) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL27678365 0.74 LOXL2 (0.41) CYP2A6
SCHEMBL457801 0.73 CYP2A6 (0.44) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL458135 0.73 CYP2A6 (0.44) ALDH1A1TDP1MAPTHPGDGLA
SCHEMBL5999904 0.73 ALDH1A1 (0.32) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL9720823 0.73 CYP2A6 (0.44) ALDH1A1TDP1MAPTTSHRHPGD
SCHEMBL455449 0.73 ALDH1A1 (0.32) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL3952850 0.73 CYP1A2 (0.44) ALDH1A1HSD17B10CYP3A4TDP1MAPT

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 728 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
CN-118339214-A Coating composition PPG工业俄亥俄公司 2024-07-12 CN disclosed
US-12018110-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-06-25 US disclosed
EP-4382545-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-06-12 EP disclosed
CN-115678377-B Acrylic polyester resin and aqueous coating composition containing same PPG工业俄亥俄公司 2024-05-28 CN disclosed
EP-4372020-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-05-22 EP disclosed
US-20240158650-A1 A COATING COMPOSITION PPG COATINGS EUROPE B.V. (NL) 2024-05-16 US disclosed
US-11981764-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-05-14 US disclosed
WO-2024074813-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT OWLSTONE MEDICAL LIMITED (GB) 2024-04-11 WO disclosed
EP-3800212-B1 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG IND OHIO INC (US) 2024-04-10 EP disclosed
US-4487722-A Method of preparing 4-(α-hydrocarbyl-α-cyanomethyl)2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-12-11 US disclosed
US-4485051-A Preparation of 4-(α-hydrocarbyl-α-cyanomethyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-27 US disclosed
US-4483800-A Preparation of 4-(α-alkyl-α-cyano-methyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-20 US disclosed
US-4082517-A CYCLOPENTADIENYL MANGANESE ANTIKNOCK ETHYL CORPORATION (US) 1978-04-04 US disclosed
US-RE29488-E CYCLOPENTADIENYL MANGANESE TRICARBONYL, CARBOXYMETHOXY-SUCCINIC ACIDS ETHYL CORPORATION (US) 1977-12-06 US disclosed
US-4052171-A FUEL COMPOSITIONS AND ADDITIVE MIXTURES CONTAINING METHANETRICARBOXYLATES FOR REDUCING EXHAUST GAS CATALYST PLUGGING ETHYL CORPORATION (US) 1977-10-04 US disclosed
US-4005993-A CYCLOPENTADIENYL MANGANESE TRICARBONYL, OXYALKYL-MALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-4005992-A CYCLOPENTADIENYL MAGNESIUM TRICARBONYL, OXYMETHYLENEMALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-3958955-A CYCLOPENTADIENYL MANGANESE TRICARBONYL ANTIKNOCK ETHYL CORPORATION (US) 1976-05-25 US disclosed
US-3950145-A ANTIKNOCK ETHYL CORPORATION (US) 1976-04-13 US disclosed