SCHEMBL9506721

SCHEMBL9506721

C1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
PTGS1 P23219 6/20 0.35
ALDH1A1 P00352 3/20 0.35
PTGS2 P35354 8/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BACE1 P56817 1/20 0.32
MAPK1 P28482 1/20 0.32
ABCB11 O95342 1/20 0.32
MT-CO2 P00403 1/20 0.32
HTR1A P08908 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MC4R P32245 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL14663755 1.00 KMT2A (0.42) KMT2ACFTRGOPCPTGS1ALDH1A1
SCHEMBL28233905 0.78 KMT2A (0.30) KMT2A
SCHEMBL19469401 0.78 KDM4E (0.42) ALDH1A1MAPK1
SCHEMBL6151731 0.76 ALDH1A1 (0.33) KMT2AALDH1A1BACE1MAPK1PDE4B
SCHEMBL4624878 0.76 CFTR (0.37) KMT2ACFTRGOPCPTGS1ALDH1A1
Hydrochloric Acid SCHEMBL3372047 0.74 ALDH1A1 (0.32) KMT2AALDH1A1BACE1MAPK1PDE4B
Hydrochloric Acid SCHEMBL3372048 0.74 ALDH1A1 (0.32) KMT2ACFTRGOPCALDH1A1BACE1
Hydrochloric Acid SCHEMBL9066148 0.72 KMT2A (0.38) KMT2ACFTRGOPCPTGS1ALDH1A1
SCHEMBL147807 0.67 CFTR (0.52) KMT2ACFTRGOPCPTGS1ALDH1A1
SCHEMBL8197843 0.67 CFTR (0.52) KMT2ACFTRGOPCPTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2295953-A None JP disclosed
WO-2023176470-A1 COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, AND CAMERA MODULE 富士フイルム株式会社 2023-09-21 WO disclosed
CN-109232169-A A kind of polyaryl replaces fulvalene compound and its synthetic method 大连理工大学 2019-01-18 CN disclosed
CN-106046329-A Polyarylene polymers 罗门哈斯电子材料有限责任公司 2016-10-26 CN disclosed
CN-105940016-A Method for producing ethylene/unsaturated carboxylic acid copolymer, and said copolymer 日本聚乙烯株式会社 2016-09-14 CN disclosed
CN-105694005-A Silylated polyarylenes 罗门哈斯电子材料有限责任公司 2016-06-22 CN disclosed
CN-105384915-A Polyarylene materials ROHM & HAAS ELECT MATERIALS KOREA LTD 2016-03-09 CN disclosed
EP-2734554-A1 METHOD FOR PREPARING DIALKYL MAGNESIUM COMPOUNDS BY ETHYLENE POLYMERISATION AND USES THEREOF Universite De Lille 1 Sciences Et Technologies (FR) 2014-05-28 EP disclosed
WO-2013014383-A1 METHOD FOR PREPARING DIALKYL MAGNESIUM COMPOUNDS BY ETHYLENE POLYMERISATION AND USES THEREOF UNIVERSITE DE LILLE 1 SCIENCES ET TECHNOLOGIES (FR) 2013-01-31 WO disclosed
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
JP-H02295953-A 3-AMINOPHENYLPENTAN-1,5-DIONE BASF AG 1990-12-06 JP disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed