SCHEMBL8345822

SCHEMBL8345822

O=C(O)SCc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
IDO1 P14902 5/20 0.59
PTPRG P23470 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CTBP2 P56545 1/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Hydrochloric Acid SCHEMBL11842725 0.98 TDP1 (0.61) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL6689595 0.81 IDO1 (0.68) TDP1L3MBTL1IDO1ALDH1A1KMT2A
SCHEMBL14611678 0.81 IDO1 (0.57) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL22767269 0.80 TDP1 (0.65) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL79058 0.79 IDO1 (0.58) TDP1L3MBTL1IDO1CYP2C19GAA
Hydrochloric Acid SCHEMBL11632741 0.79 IDO1 (0.58) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL9459291 0.79 TDP1 (0.54) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL6689280 0.78 IDO1 (0.53) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL15424828 0.78 TDP1 (0.62) TDP1L3MBTL1IDO1PTPRGALDH1A1
SCHEMBL28857373 0.77 TDP1 (0.61) TDP1L3MBTL1IDO1PTPRGALDH1A1

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
US-5928997-A APPLYING ON MONOCOTYLEDON AND DICOTYLEDON WEEDS HOECHST AKTIENGESELLSCHAFT (DE) 1999-07-27 US claimed