SCHEMBL7572981

SCHEMBL7572981

COC(=O)c1ccc(Cl)c(CSC)c1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
TSHR P16473 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR4A2 P43354 2/20 0.35
MAPT P10636 3/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL7576186 0.87 ABL1 (0.39) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL8724651 0.86 KDM4E (0.36) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL7574592 0.82 ABL1 (0.39) ABL1TSHRALDH1A1KDM4EMEN1
SCHEMBL7574596 0.82 POLB (0.39) ABL1TSHRRXFP1ALDH1A1MEN1
SCHEMBL7578223 0.82 ABL1 (0.41) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL8488343 0.78 ABL1 (0.42) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL8492785 0.78 ABL1 (0.42) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL8747960 0.78 POLB (0.43) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL7577792 0.77 L3MBTL1 (0.40) ABL1TSHRRXFP1ALDH1A1KDM4E
SCHEMBL7574482 0.76 HPGD (0.33) ALDH1A1KMT2ASMN1; SMN2POLB

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