SCHEMBL7575696

SCHEMBL7575696

COC(=O)c1ccc(CSC)cc1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL31435348 0.83 SMN1; SMN2 (0.42) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL4275150 0.83 CA12 (0.57) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL7573438 0.81 KDM4E (0.43) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL4275994 0.81 MAPT (0.52) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL8731814 0.81 ABL1 (0.44) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL20556212 0.79 PPARA (0.54) MAPTSMN1; SMN2
SCHEMBL22067296 0.78 NR4A2 (0.49) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL24950987 0.78 KDM4E (0.46) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL6999157 0.78 HPGD (0.52) MAPTKDM4EGAAHPGDHSD17B10
SCHEMBL7572980 0.77 GAA (0.49) MAPTKDM4EGAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed