SCHEMBL8900371

SCHEMBL8900371

O=C(OC1COC1)c1ccccc1SSc1ccccc1C(=O)OC1COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
PTPN2 P17706 3/20 0.45
PTPN1 P18031 3/20 0.45
PTPRF P10586 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR3A P46098 6/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL11613036 0.81 MEN1 (0.50) POLBALDH1A1SCN1ASCN2ASCN3A
SCHEMBL28339381 0.74 CHRNA7 (0.56) PTPN2PTPN1PTPRFTSHRSCN1A
SCHEMBL8837565 0.74 PTPN2 (0.42) POLBPTPN2PTPN1PTPRFALDH1A1
SCHEMBL9386746 0.74 BCHE (0.51) POLBPTPN2PTPN1ALDH1A1LMNA
SCHEMBL8837627 0.74 CA1 (0.56) POLBPTPN2PTPN1PTPRFALDH1A1
SCHEMBL9026170 0.72 SCN1A (0.40) POLBPTPN2PTPN1PTPRFALDH1A1
SCHEMBL9387290 0.71 ATM (0.42) POLBPTPN2PTPN1PTPRFALDH1A1
SCHEMBL20562753 0.70 PTPN1 (0.46) PTPN2PTPN1PTPRFPTPN6PTPN11
SCHEMBL756511 0.70 POLB (0.64) POLBALDH1A1HSD17B10KDM4ETSHR
SCHEMBL30096217 0.70 POLB (0.64) POLBALDH1A1HSD17B10KDM4ETSHR

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-1997003980-A1 SUBSTITUTED ARYL SULPHONYL AMINO (THIO) CARBONYL TRIAZOLIN(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-06 WO disclosed