SCHEMBL1722780

SCHEMBL1722780

O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.71
GSK3A P49840 7/20 0.71
GAA P10253 2/20 0.59
MAPK1 P28482 1/20 0.56
NTRK1 P04629 1/20 0.50
IGF1R P08069 1/20 0.50
FGFR1 P11362 1/20 0.50
NTRK3 Q16288 1/20 0.50
NTRK2 Q16620 1/20 0.50
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MGLL Q99685 1/20 0.48
PGR P06401 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11156963 0.87 GSK3B (0.58) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL6362698 0.86 GSK3A (0.56) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL12251954 0.84 GSK3A (0.54) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL15354264 0.84 GSK3B (1.00) GSK3BGSK3AGAAMAPK1ALDH1A1
SCHEMBL5199351 0.82 GSK3B (0.71) GSK3BGSK3AGAAMAPK1KMT2A
SCHEMBL5198556 0.82 NTRK1 (0.72) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL18234176 0.82 GSK3A (0.52) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL5306506 0.81 MAPK1 (0.71) GSK3BGSK3AGAAMAPK1KMT2A
SCHEMBL1723304 0.80 GSK3A (0.50) GSK3BGSK3AGAAMAPK1NTRK1
SCHEMBL23709259 0.80 MAPK1 (0.61) GSK3BGSK3AGAAMAPK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11652234-B2 Microcapsules, separator comprising same and electrochemical device comprising same LG ENERGY SOLUTION, LTD. (KR) 2023-05-16 US claimed
CN-111033803-B Microcapsule, separator including the same, and electrochemical device including the separator 株式会社LG新能源 2023-03-24 CN claimed
EP-3675230-A1 MICROCAPSULES, SEPARATOR COMPRISING SAME AND ELECTROCHEMICAL DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-01 EP claimed
US-20200168877-A1 MICROCAPSULES, SEPARATOR COMPRISING SAME AND ELECTROCHEMICAL DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-05-28 US claimed
CN-111033803-A Microcapsule, separator including the same, and electrochemical device including the separator 株式会社LG化学 2020-04-17 CN claimed
EP-0447073-B1 Aromatic isocyanurate compound ASAHI DENKA KOGYO KK (JP) 1995-12-20 EP claimed
US-5142050-A Crosslinking agent for resins ASAHI DENKA KOGYO K.K. (JP) 1992-08-25 US claimed
EP-0447073-A2 Aromatic isocyanurate compound ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-09-18 EP claimed
US-3959219-A HALOGENATED AROMATIC COMPOUND, CYANURATE OR ISOCYANURATE COMPOUND TORAY INDUSTRIES, INC. (JA) 1976-05-25 US claimed
JP-3261769-A None JP disclosed
JP-54112958-A None JP disclosed
JP-5255282-A None JP disclosed
JP-1226878-A None JP disclosed
JP-4139211-A None JP disclosed
US-4040992-A USING N-HYDROXYALKYL QUATERNARY AMMONIUM CARBONYLATE SALTS AS CATALYSTS; POLYURETHANES, POLYISOCYANURATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1977-08-09 US disclosed
US-4025469-A MIXTURE OF A HEXAHYDROTRIAZINE WITH A TETRAHYDROOXADIAZINE ARMSTRONG CORK COMPANY (US) 1977-05-24 US disclosed
US-3993652-A Cyclic quaternary hydroxyalkyl phenoxide catalysts for isocyanate reactions AIR PRODUCTS AND CHEMICALS, INC. (US) 1976-11-23 US disclosed
US-3980594-A Trimerization of aromatic isocyanates catalyzed by certain ammonium salts THE GENERAL TIRE & RUBBER COMPANY (US) 1976-09-14 US disclosed
US-3962239-A METHOD FOR PRODUCING CYCLIC TRIMERS OF ORGANIC ISOCYANATES CESKOSLOVENSKA AKADEMIE VED (CS) 1976-06-08 US disclosed
US-3959219-A HALOGENATED AROMATIC COMPOUND, CYANURATE OR ISOCYANURATE COMPOUND TORAY INDUSTRIES, INC. (JA) 1976-05-25 US disclosed