SCHEMBL8109706

SCHEMBL8109706

C#Cc1ccc(SC)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.37
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL3753905 0.80 TRPV4 (0.52) PGK1MAOAMAOBCYP11B1CYP11B2
SCHEMBL8100206 0.78 HSD17B10 (0.33) HSD17B10HTTTSHRCYP1A1CYP1A2
SCHEMBL3793217 0.74 PDE7A (0.41) HSD17B10HTTTSHRCYP1A1CYP1A2
SCHEMBL1145370 0.73 AHR (0.43) HSD17B10HTTTSHRCYP1A1CYP1A2
SCHEMBL25051645 0.72 GABRA1 (0.38) PGK1CYP1A2SMN1; SMN2HPGDKDM4E
SCHEMBL2783347 0.72 TP53 (0.48) HSD17B10TSHRCYP1A2KMT2ASMN1; SMN2
SCHEMBL9861993 0.70 TRPV4 (0.34) PGK1CYP1A1CYP1B1KMT2AMEN1
Hydrochloric Acid SCHEMBL31612432 0.70 TP53 (0.46) HSD17B10TSHRCYP1A2KMT2ASMN1; SMN2
SCHEMBL8772397 0.70 CYP3A4 (0.48) HSD17B10HTTTSHRCYP1A1CYP1A2
SCHEMBL12164468 0.69 ALDH1A1 (0.45) HSD17B10HTTTSHRCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
CN-1039081-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-07-15 CN disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed