SCHEMBL21022667

SCHEMBL21022667

CCOC(=O)CCn1c(=S)sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CXCR3 P49682 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TNF P01375 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR2 P34972 2/20 0.43

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
SCHEMBL19456499 0.88 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1RECQLTDP1
SCHEMBL11088115 0.86 ALDH1A1 (0.58) ALDH1A1HTTTP53RECQLNPSR1
SCHEMBL11084826 0.86 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1TP53KDM4E
SCHEMBL14262278 0.83 CXCR3 (0.45) CREBBPALDH1A1L3MBTL1TP53NPSR1
SCHEMBL21022863 0.81 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1TDP1CYP1A2
SCHEMBL21022668 0.81 CYP3A4 (0.49) ALDH1A1HTTL3MBTL1RECQLTDP1
SCHEMBL11082445 0.80 HTT (0.70) ALDH1A1HTTL3MBTL1KDM4ECYP1A2
SCHEMBL11079506 0.79 KDM4E (0.55) ALDH1A1HTTL3MBTL1TP53KDM4E
SCHEMBL11782096 0.77 DRD2 (0.48) ALDH1A1HTTL3MBTL1KDM4ECYP1A2
SCHEMBL11514777 0.76 ALDH1A1 (0.71) CREBBPALDH1A1CXCR3KDM4ETNF

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
US-11111451-B2 Mercaptoazole derivatives as lubricating additives THE LUBRIZOL CORPORATION (US) 2021-09-07 US disclosed
US-20190153349-A1 MERCAPTOAZOLE DERIVATIVES AS LUBRICATING ADDITIVES THE LUBRIZOL CORPORATION 2019-05-23 US disclosed