SCHEMBL9713733

SCHEMBL9713733

Nc1ccc2c(O)c(S)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP6 P55212 2/20 0.39
NSD2 O96028 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
NT5E P21589 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 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
SCHEMBL28574517 0.79 PLAU (0.59) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL8411722 0.79 PLAU (0.53) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL31634586 0.79 PLAU (0.53) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL28430736 0.79 CYP1A2 (0.43) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL18051604 0.78 PLAU (0.44) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL28432170 0.76 CYP2A6 (0.40) ALDH1A1CYP3A4HSD17B10CASP1ALOX15
SCHEMBL2445157 0.75 ALDH1A1 (0.57) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL8121539 0.73 ALDH1A1 (0.55) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL5028738 0.72 CASP6 (0.54) PLAUCTDSP1ALDH1A1CYP3A4HSD17B10
SCHEMBL9697851 0.72 TUBB4A (0.50) ALDH1A1TDP1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151540-A THIO CARBAMATES AND THEIR DERIVATIVES HOECHST CELANESE CORPORATION (US) 1992-09-29 US claimed
EP-0269434-A1 Method for producing aminothiophenols and their derivatives HOECHST CELANESE CORPORATION (US) 1988-06-01 EP claimed
US-5157142-A THIOCARBAMATES AND THEIR DERIVATIVES HOECHST CELANESE CORPORATION (US) 1992-10-20 US disclosed
US-5151540-A THIO CARBAMATES AND THEIR DERIVATIVES HOECHST CELANESE CORPORATION (US) 1992-09-29 US disclosed
EP-0269434-A1 Method for producing aminothiophenols and their derivatives HOECHST CELANESE CORPORATION (US) 1988-06-01 EP disclosed
EP-0251552-A2 Process for producing aminothiophenols and their derivatives CELANESE CORPORATION (US) 1988-01-07 EP disclosed