SCHEMBL8345818

SCHEMBL8345818

O=C(OCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
PPARA Q07869 2/20 0.43
NR4A2 P43354 1/20 0.42
AGXT P21549 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1722103 0.81 IDO1 (0.65) IDO1L3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL498363 0.77 ALDH1A1 (0.49) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL6646522 0.77 MEN1 (0.54) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL28142 0.77 IDO1 (0.52) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL8197936 0.75 ALDH1A1 (0.54) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL137476 0.75 ALDH1A1 (0.67) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL18279602 0.75 ALDH1A1 (0.50) IDO1L3MBTL1MMP2NPSR1MMP1
SCHEMBL8345822 0.75 TDP1 (0.62) IDO1L3MBTL1TDP1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11842725 0.73 TDP1 (0.61) IDO1L3MBTL1TDP1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11846628 0.73 ALDH1A1 (0.53) IDO1L3MBTL1MMP2NPSR1MMP1

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