SCHEMBL7319404

SCHEMBL7319404

O=c1ccn(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
COMT P21964 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MGLL Q99685 2/20 0.48
CYP3A4 P08684 1/20 0.43
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 2/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL44284 0.77 KDM4E (0.50) KMT2ACOMTSMN1; SMN2KDM4ECYP3A4
SCHEMBL20649339 0.75 KMT2A (0.59) KMT2ACOMTSMN1; SMN2KDM4EMGLL
SCHEMBL20176617 0.75 KMT2A (0.53) KMT2ASMN1; SMN2KDM4EMGLLGSK3A
SCHEMBL7266489 0.75 KMT2A (0.48) KMT2ACOMTSMN1; SMN2KDM4E
SCHEMBL10434353 0.75 KMT2A (0.53) KMT2ACOMTSMN1; SMN2KDM4EMGLL
SCHEMBL10472772 0.75 BCHE (0.52) KMT2ASMN1; SMN2KDM4ECYP3A4MEN1
SCHEMBL92862 0.75 KMT2A (0.59) KMT2ASMN1; SMN2KDM4EMGLLGSK3A
SCHEMBL7316169 0.75 KMT2A (0.69) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL9521015 0.74 CYP3A4 (0.43) KMT2ACOMTSMN1; SMN2KDM4EMGLL
SCHEMBL30241908 0.73 CYP2A6 (0.58) CYP3A4GAAMAPK1ALDH1A1HTT

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
EP-0239391-B1 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-02 EP disclosed
US-5254679-A Containing a quaternized nitrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
US-4871751-A 1,2,6-Triphenyl-4(1H)-pyridinone derivatives, and their use as fungicides KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-10-03 US disclosed
US-4757081-A Agriculture, horticulture KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-12 US disclosed
EP-0239391-A2 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 EP disclosed
US-4083984-A 1-Substituted phenyl-4(1H)-pyridinone hydrazones and composition therewith for treatment of coccidiosis MERCK & CO., INC. (US) 1978-04-11 US disclosed