SCHEMBL4391919

SCHEMBL4391919

CCCCn1c(C)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CYP2C19 P33261 1/20 0.71
RECQL P46063 1/20 0.71
TSHR P16473 6/20 0.59
MAPK1 P28482 5/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NR2F2 P24468 1/20 0.59
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GALR3 O60755 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53
USP2 O75604 1/20 0.52

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
Dimethylamine SCHEMBL11391855 0.96 CYP1A2 (0.66) CYP1A2CYP2C19RECQLTSHRMAPK1
Dimethylamine SCHEMBL11384921 0.94 CYP1A2 (0.64) CYP1A2CYP2C19RECQLTSHRMAPK1
Diethylamine SCHEMBL11384275 0.93 CYP1A2 (0.63) CYP1A2CYP2C19RECQLTSHRMAPK1
SCHEMBL11384059 0.93 CYP1A2 (0.63) CYP1A2CYP2C19RECQLTSHRMAPK1
SCHEMBL11387281 0.92 CYP1A2 (0.61) CYP1A2CYP2C19RECQLTSHRMAPK1
Diethylamine SCHEMBL11389041 0.92 CYP1A2 (0.61) CYP1A2CYP2C19RECQLTSHRMAPK1
Hydrochloric Acid SCHEMBL11389673 0.92 CYP1A2 (0.61) CYP1A2CYP2C19RECQLTSHRMAPK1
Hydrochloric Acid SCHEMBL11381108 0.91 CYP1A2 (0.60) CYP1A2CYP2C19RECQLTSHRMAPK1
SCHEMBL682753 0.89 CYP1A2 (0.58) CYP1A2CYP2C19RECQLTSHRMAPK1
SCHEMBL11384056 0.88 RECQL (0.56) CYP1A2CYP2C19RECQLTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918934-B2 Linker-based lecithin microemulsion delivery vehicles ACOSTA ZARA EDGAR JOEL (CA) 2018-03-20 US disclosed
EP-2120871-B2 LINKER-BASED LECITHIN MICROEMULSION DELIVERY VEHICLES ACOSTA-ZARA EDGAR JOEL (CA) 2017-12-20 EP disclosed
EP-2120871-B1 LINKER-BASED LECITHIN MICROEMULSION DELIVERY VEHICLES ACOSTA-ZARA EDGAR JOEL (CA) 2014-11-26 EP disclosed
CN-101636148-B Linker-based lecithin microemulsion delivery vehicle ACOSTA-ZARA EDGAR JOEL 2014-02-26 CN disclosed
CN-101636148-A Linker-based lecithin microemulsion delivery vehicle JOEL ACOSTA-ZARA EDGAR 2010-01-27 CN disclosed
EP-2120871-A1 LINKER-BASED LECITHIN MICROEMULSION DELIVERY VEHICLES Acosta-Zara, Edgar, Joel (CA) 2009-11-25 EP disclosed
WO-2008070961-A1 LINKER-BASED LECITHIN MICROEMULSION DELIVERY VEHICLES ACOSTA-ZARA EDGAR JOEL (CA) 2008-06-19 WO disclosed
US-20080139392-A1 Linker-Based Lecithin Microemulsion Delivery Vehicles ACOSTA-ZARA EDGAR JOEL 2008-06-12 US disclosed