SCHEMBL17686902

SCHEMBL17686902

NC1C=CC(C(=O)O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.38
EDNRB P24530 2/20 0.35
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL8917182 0.87 EDNRA (0.46) EDNRAEDNRBMEN1KMT2ATSHR
SCHEMBL4822373 0.78 HTR2A (0.42) MEN1KMT2ACYP3A4MAPTHSD17B10
SCHEMBL29401941 0.69 EDNRA (0.39) EDNRAEDNRBCYP2C9MEN1KMT2A
SCHEMBL63928 0.69 EDNRA (0.39) EDNRAEDNRBCYP2C9MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28107850 0.68 EDNRA (0.38) EDNRAEDNRBCYP2C9MEN1KMT2A
SCHEMBL28970647 0.68 EDNRA (0.38) EDNRAEDNRBCYP2C9MEN1KMT2A
SCHEMBL6272602 0.67 EDNRA (0.37) EDNRAEDNRBMEN1KMT2AATM
Cadaverine Tartrate SCHEMBL27789154 0.66 HTR2A (0.34) CYP2C9MEN1KMT2AATMTSHR
SCHEMBL13917751 0.66 EDNRA (0.43) EDNRAEDNRBCYP2C9MEN1KMT2A
Acetic Acid SCHEMBL31548595 0.65 MEN1 (0.37) EDNRACYP2C9MEN1KMT2AATM

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
EP-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 EP disclosed
EP-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 EP disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
EP-3207374-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE Labcyte Inc. (US) 2017-08-23 EP disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed
WO-2016061592-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC. (US) 2016-04-21 WO disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed
WO-2016061592-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC. (US) 2016-04-21 WO disclosed