SCHEMBL7479947

SCHEMBL7479947

Nc1cc2ccccc2[n+]([O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.50
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 3/20 0.40
CASP7 P55210 2/20 0.40
HBB P68871 2/20 0.40
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 2/20 0.31
USP2 O75604 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL9750621 0.75 TERT (0.43) ATMCYP3A4ALDH1A1HSD17B10CASP1
SCHEMBL9332398 0.75 CYP3A4 (0.41) ATMCYP3A4ALDH1A1HSD17B10CASP1
SCHEMBL13806417 0.75 ATM (0.50) ATMALDH1A1MEN1KMT2ARAB9A
SCHEMBL1285478 0.75 ATM (0.50) ATMALDH1A1MEN1KMT2ARAB9A
SCHEMBL2796407 0.75 ATM (0.50) ATMALDH1A1TDP1MEN1KMT2A
SCHEMBL25413825 0.75 ATM (0.50) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1394239 0.75 ATM (0.50) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8512795 0.75 ATM (0.50) ATMALDH1A1MEN1KMT2ARAB9A
SCHEMBL4164409 0.75 ATM (0.50) ATMALDH1A1MEN1KMT2ARAB9A
SCHEMBL2008748 0.73 PARP1 (0.50) ATMALDH1A1MEN1KMT2ARAB9A

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
US-11820973-B2 Methods and system for interfering with viability of bacteria and related compounds and compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-21 US disclosed
US-10578624-B2 Determination of glycosaminoglycan levels by mass spectrometry SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-03-03 US disclosed
CN-107003324-B Determination of glycosaminoglycan levels by mass spectrometry 夏尔人类遗传性治疗公司 2019-09-24 CN disclosed
US-20170350900-A1 DETERMINATION OF GLYCOSAMINOGLYCAN LEVELS BY MASS SPECTROMETRY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
EP-3218722-A1 DETERMINATION OF GLYCOSAMINOGLYCAN LEVELS BY MASS SPECTROMETRY Shire Human Genetic Therapies, Inc. (US) 2017-09-20 EP disclosed
CN-107003324-A Determination of glycosaminoglycan levels by mass spectrometry 夏尔人类遗传性治疗公司 2017-08-01 CN disclosed
WO-2016077775-A1 DETERMINATION OF GLYCOSAMINOGLYCAN LEVELS BY MASS SPECTROMETRY SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2016-05-19 WO disclosed
EP-1011677-A4 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP disclosed
EP-1011677-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 2000-06-28 EP disclosed
US-5972961-A ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-26 US disclosed
WO-1999009983-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed