SCHEMBL21372476

SCHEMBL21372476

COc1cc(S(=O)(=O)O)c(C)cc1N=Nc1c(O[SH](=O)=O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.51
▸ MPL P40238 5/20 0.43
▸ CTRC Q99895 2/20 0.42
▸ ENPP2 Q13822 3/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTPRA P18433 1/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38

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
SCHEMBL29228147 0.99 PTPN1 (0.50) PTPN1MPLCTRCENPP2CYP1A2
SCHEMBL7572950 0.85 PTPN1 (0.68) PTPN1MPLCTRCENPP2CYP1A2
SCHEMBL27506185 0.81 CYP1A2 (0.49) MPLCTRCENPP2CYP1A2HIF1A
SCHEMBL25811218 0.80 PTPN1 (0.66) PTPN1ENPP2CYP1A2HIF1ACYP2C9
SCHEMBL21436620 0.78 ALDH1A1 (0.63) PTPN1MPLCTRCENPP2CYP1A2
SCHEMBL20586415 0.76 PTPN1 (0.60) PTPN1MPLCTRCENPP2CYP1A2
SCHEMBL20586418 0.76 PTPN1 (0.60) PTPN1MPLCTRCENPP2CYP1A2
SCHEMBL13474906 0.76 PTPN1 (0.66) PTPN1ENPP2CYP1A2HIF1ACYP2C9
SCHEMBL25807153 0.75 CTRB1 (0.63) MPLCTRCCYP1A2HIF1ACYP2C9
SCHEMBL8947472 0.75 PTPN1 (0.71) PTPN1MPLCTRCENPP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490531-B Method for automatically identifying control liquid ARKRAY INC 2012-12-05 — — CN claimed
CN-101490531-A Method for automatically identifying control liquid ARKRAY INC (JP) 2009-07-22 — — CN claimed
EP-2031373-B1 Method for automatically identifying a control liquid ARKRAY INC (JP) 2019-09-25 — — EP disclosed
CN-101490531-A Method for automatically identifying control liquid ARKRAY INC (JP) 2009-07-22 — — CN disclosed
Send feedback