SCHEMBL634476

SCHEMBL634476

NC1=CC(=O)C(Cl)=C(Cl)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CES1 P23141 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5529408 0.82 NSD2 (0.37) CES2BCHEACHECES1KDM4E
SCHEMBL1890738 0.72 MAPT (0.44) CES2BCHEACHECES1KDM4E
SCHEMBL23271966 0.67 S100A4 (0.39) CES1KDM4EMEN1ALDH1A1MAPT
SCHEMBL30002698 0.67 S100A4 (0.39) CES1KDM4EMEN1ALDH1A1MAPT
SCHEMBL28880688 0.67 NSD2 (0.41) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL4964070 0.66 NSD2 (0.43) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL21819582 0.66 NSD2 (0.43) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL5160541 0.65 MEN1 (0.42) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL6109533 0.64 MAPT (0.57) CES2BCHEACHECES1KDM4E
Bromide SCHEMBL11511582 0.64 NSD2 (0.42) KDM4EMEN1ALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10408786-B2 Distributable chemical sampling and sensing system ChemiSensor, LLP (US) 2019-09-10 US disclosed
US-20170336341-A1 Distributable Chemical Sampling and Sensing System ChemiSensor, LLP 2017-11-23 US disclosed
US-8668821-B2 Detection of phenols ISIS INNOVATION LIMITED (GB) 2014-03-11 US disclosed
US-20130337477-A1 Distributable Chemical Sampling and Sensing System Process ChemiSensor LLP (US) 2013-12-19 US disclosed
US-20130334045-A1 Distributable Chemical Sampling and Sensing System ChemiSensor LLP (US) 2013-12-19 US disclosed
US-20130098779-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2013-04-25 US disclosed
EP-1891423-B1 DETECTION OF PHENOLS ISIS INNOVATION (GB) 2012-02-22 EP disclosed
US-20090294298-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2009-12-03 US disclosed
EP-1891423-A1 DETECTION OF PHENOLS Isis Innovation Limited (GB) 2008-02-27 EP disclosed
WO-2006134386-A1 DETECTION OF PHENOLS ISIS INNOVATION LIMITED (GB) 2006-12-21 WO disclosed