SCHEMBL3358643

SCHEMBL3358643

CCOC(=O)c1ncsc1NN.CCc1nc(C(=O)O)c(NN)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ILK Q13418 1/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL2477424 0.81 RAB9A (0.33) KDM4EALDH1A1KMT2ARAB9ALMNA
SCHEMBL3358641 0.81 RAB9A (0.33) KDM4EALDH1A1KMT2ARAB9ALMNA
SCHEMBL22658875 0.72 ALDH1A1 (0.45) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2825669 0.72 TSHR (0.44) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1968562 0.71 MAPK1 (0.52) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL15440492 0.71 MAPK1 (0.51) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL27825998 0.71 KDM4E (0.47) KDM4ERAB9ANPC1L3MBTL1PKM
SCHEMBL2832760 0.70 TSHR (0.43) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL18467314 0.70 TSHR (0.43) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16371512 0.69 TSHR (0.46) KDM4EALDH1A1CYP1A2KMT2AILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed