SCHEMBL18320618

SCHEMBL18320618

Nc1ccccc1N.O=NNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 7/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 5/20 0.40
TSHR P16473 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
Benzene SCHEMBL28203363 0.88 TDP1 (0.48) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL143319 0.88
Hydrochloric Acid SCHEMBL27882982 0.85 TDP1 (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL30509838 0.85 TDP1 (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9013178 0.85 TDP1 (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29026140 0.85 TDP1 (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8834720 0.79 ALDH1A1 (0.62) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2
Sulfuric Acid SCHEMBL8745492 0.77 ACP1 (0.44) CYP3A4SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL3191368 0.74 ALDH1A1 (0.38) CYP3A4SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL28706390 0.73 MAPT (0.46) CYP3A4ALOX15SMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107743584-B Method and test element for the electrochemical detection of at least one analyte in a body fluid sample 豪夫迈·罗氏有限公司 2021-02-19 CN disclosed
EP-3308152-B1 METHOD FOR ELECTROCHEMICALLY DETECTING AT LEAST ONE ANALYTE IN A SAMPLE OF A BODY FLUID ROCHE DIAGNOSTICS GMBH (DE) 2019-07-24 EP disclosed
EP-3308152-A1 METHOD AND TEST ELEMENT FOR ELECTROCHEMICALLY DETECTING AT LEAST ONE ANALYTE IN A SAMPLE OF A BODY FLUID Roche Diagnostics GmbH (DE) 2018-04-18 EP disclosed
US-20180100826-A1 METHOD AND TEST ELEMENT FOR ELECTROCHEMICALLY DETECTING AT LEAST ONE ANALYTE IN A SAMPLE OF A BODY FLUID ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2018-04-12 US disclosed
WO-2016202722-A1 METHOD AND TEST ELEMENT FOR ELECTROCHEMICALLY DETECTING AT LEAST ONE ANALYTE IN A SAMPLE OF A BODY FLUID ROCHE DIAGNOSTICS GMBH (DE) 2016-12-22 WO disclosed