SCHEMBL168802

SCHEMBL168802

Cc1nc(N)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 5/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PKM P14618 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12661728 0.83 IKBKB (0.42) ALDH1A1HPGDNPC1LMNAKDM4E
SCHEMBL27326539 0.83 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ARECQLSMN1; SMN2
SCHEMBL18720468 0.78 ALDH1A1 (0.45) ALDH1A1HPGDTSHRSMN1; SMN2L3MBTL1
SCHEMBL8627631 0.77 ALDH1A1 (0.42) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL286332 0.77 ALDH1A1 (0.63) ALDH1A1HPGDTSHRRAB9ARECQL
SCHEMBL27687515 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ARECQLSMN1; SMN2NPC1
SCHEMBL17208610 0.76 CCNA2 (0.66) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL4883695 0.76 ALDH1A1 (0.45) ALDH1A1HPGDTSHRRAB9ARECQL
SCHEMBL28211661 0.76 ALDH1A1 (0.45) ALDH1A1HPGDTSHRRAB9ARECQL
Hydrochloric Acid SCHEMBL9528992 0.76 ALDH1A1 (0.61) ALDH1A1HPGDTSHRRAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108654-A It is used as the thiazolopyridin ketone of herbicide 先正达参股股份有限公司 2017-08-29 CN disclosed
EP-2611801-B1 HERBICIDALLY EFFECTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER IP GMBH (DE) 2016-05-04 EP disclosed
EP-2831084-B1 HERBICIDAL AND INSECTICIDAL THIAZOLOPYRIDINONES BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2935267-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2015-10-28 EP disclosed
EP-2831084-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE THIAZOLOPYRIDINONES Bayer Intellectual Property GmbH (DE) 2015-02-04 EP disclosed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
WO-2013144096-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE THIAZOLOPYRIDINONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
EP-2611801-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028582-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed