SCHEMBL3362529

SCHEMBL3362529

COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCO)CCO)c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.83
TP53 P04637 3/20 0.83
CYP3A4 P08684 3/20 0.83
CASP1 P29466 3/20 0.83
CASP7 P55210 3/20 0.83
HBB P68871 3/20 0.83
HSD17B10 Q99714 3/20 0.83
CYP1A2 P05177 2/20 0.83
CYP2D6 P10635 2/20 0.83
TSHR P16473 2/20 0.83
BRCA1 P38398 2/20 0.83
HIF1A Q16665 2/20 0.83
CHRM2 P08172 2/20 0.83
CHRM4 P08173 2/20 0.83
CHRM5 P08912 2/20 0.83
ADRA2A P08913 2/20 0.83
CHRM1 P11229 2/20 0.83
ADRA2B P18089 2/20 0.83
ADRA2C P18825 2/20 0.83
CHRM3 P20309 2/20 0.83

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
SCHEMBL4957066 0.95 USP2 (0.88) USP2TP53CYP3A4CASP1CASP7
SCHEMBL4995822 0.92 USP2 (0.84) USP2TP53CYP3A4CASP1CASP7
SCHEMBL4995816 0.92 USP2 (0.84) USP2TP53CYP3A4CASP1CASP7
SCHEMBL29359029 0.92 USP2 (0.84) USP2TP53CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL29558448 0.91 KMT2A (0.84) USP2TP53CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL7521593 0.91 KMT2A (0.84) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL19225 0.91 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL17704776 0.91 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL1817364 0.91 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL20205 0.91 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 WO disclosed
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 WO disclosed
US-9259525-B2 Adsorbing pathogen-inactivating compounds with porous particles immobilized in a matrix CERUS CORPORATION (US) 2016-02-16 US disclosed
US-20100133160-A1 ADSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION 2010-06-03 US disclosed
US-7611831-B2 Adsorbing pathogen-inactivating compounds with porous particles immobilized in a matrix CERUS CORPORATION (US) 2009-11-03 US disclosed
US-20060093999-A1 For reducing the concentration of low molecular weight compounds in a biological composition containing cells while substantially maintaining a desired biological activity; comprises highly porous adsorbent particles CERUS CORPORATION 2006-05-04 US disclosed
US-7037642-B2 Removing compounds from blood products with porous particles immobilized in a matrix CERUS CORPORATION (US) 2006-05-02 US disclosed
US-20050142542-A1 ABSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION 2005-06-30 US disclosed
EP-0954374-B1 ADSORBENS AND DEVICES FOR THE REDUCTION OF SMALL ORGANIC COMPOUNDS FROM BLOOD PRODUCTS CERUS CORP (US) 2004-11-24 EP disclosed
US-20040185544-A9 Batch devices for the reduction of compounds from biological compositions containing cells and methods of use HEI DEREK J (US) 2004-09-23 US disclosed
US-20020045228-A1 Batch devices for the reduction of compounds from biological compositions containing cells and methods of use CERUS CORPORATION 2002-04-18 US disclosed