SCHEMBL9706741

SCHEMBL9706741

O=C(O)CSc1ccnnn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
RXFP1 Q9HBX9 2/20 0.47
PRNP P04156 1/20 0.47
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.42
PHGDH O43175 1/20 0.41
CDC25B P30305 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCL12 P48061 1/20 0.38
CXCR2 P25025 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL10700739 0.73 ALDH1A1 (0.36) KDM4ECDC25BALDH1A1NPSR1HPGD
SCHEMBL11389551 0.70 KDM4E (0.47) KDM4ERXFP1PRNPGAAFFAR1
SCHEMBL31676700 0.70 KDM4E (0.47) KDM4ERXFP1PRNPGAAFFAR1
SCHEMBL27885318 0.68
SCHEMBL9084099 0.68 HTT (0.46) KDM4ERXFP1PRNPGAAPOLB
SCHEMBL9015917 0.68 EHMT2 (0.35)
SCHEMBL29987569 0.68 ALDH1A1 (0.69) KDM4EGAAPOLBALOX15ALDH1A1
SCHEMBL437152 0.68 ALDH1A1 (0.69) KDM4EGAAPOLBALOX15ALDH1A1
SCHEMBL8629164 0.68 KDM4E (0.49) KDM4ERXFP1PRNPGAAFFAR1
SCHEMBL9083856 0.68 ALDH1A1 (0.50) KDM4ERXFP1PRNPCDC25BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992010484-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-06-25 WO disclosed