SCHEMBL9587231

SCHEMBL9587231

CCOC(=O)c1ncsc1-c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN1 P18031 1/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX5 P09917 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
PTGES O14684 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL9586899 0.85 ILK (0.43) KDM4EHPGDMAPTALDH1A1TSHR
SCHEMBL27584218 0.84 GAA (0.43) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL27768167 0.83 ALDH1A1 (0.49) KDM4EHPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL9586819 0.83 GRM6 (0.54) KDM4EHPGDRAB9AMAPTALDH1A1
SCHEMBL9586392 0.83 JAK2 (0.46) KDM4EHPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL2301473 0.80 KDM4E (0.62) KDM4EHPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL1560797 0.80 PTPN1 (0.47) KDM4EHPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL9586307 0.79 CDC7 (0.47) KDM4EHPGDRAB9AHSD17B10MAPT
SCHEMBL9585425 0.78 HPGD (0.45) KDM4EHPGDRAB9ASMN1; SMN2HSD17B10
SCHEMBL31325698 0.78 HTT (0.46) KDM4EHPGDSMN1; SMN2HSD17B10MAPT

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-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed