SCHEMBL7537574

SCHEMBL7537574

CC(NCCc1c[nH]c(S)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30340302 0.82 AKR1B1 (0.33) NR4A2TSHRALDH1A1THRBHSD17B10
SCHEMBL18072719 0.75 APAF1 (0.41) NR4A2L3MBTL1
SCHEMBL18052196 0.75 APAF1 (0.41) NR4A2L3MBTL1
SCHEMBL9236840 0.71 HSD17B10 (0.35) ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9240860 0.70 AKR1B1 (0.36) ALDH1A1HSD17B10CA1CA2
SCHEMBL31494692 0.69 NR4A2 (0.39) NR4A2CA12CA1CA2CA9
SCHEMBL10714867 0.68
Water SCHEMBL15121340 0.68 SLC22A4 (0.34)
SCHEMBL7534419 0.67 TBXAS1 (0.45) TSHR
SCHEMBL20677353 0.67 TSHR (0.40) TSHRALDH1A1THRBHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686149-B1 USE OF 2-MERCAPTO-IMIDAZOLE DERIVATIVES SUBSTITUTED IN POSITION 4 (OR 5) AS ANTIOXIDIZING AGENTS, METHOD OF PREPARATION AND APPLICATIONS IN THE PHARMACEUTICAL, COSMETIC OR FOOD INDUSTRIES OXIS ISLE OF MAN LTD (GB) 2002-04-24 EP disclosed
EP-1041067-A2 Use of 2-mercapto-imidazole derivatives substituted in position 4 ( or 5 ) as antioxidants OXIS Isle of Man, Limited (GB) 2000-10-04 EP disclosed
US-6056965-A 2-mercapto-imidazole derivatives substituted in position 4 (or 5) as antioxidizing agents, method of preparation and applications in the pharmaceutical, cosmetic or food industries OXIS ISLE OF MAN, LIMITED (US) 2000-05-02 US disclosed