SCHEMBL8729669

SCHEMBL8729669

CCOC(=O)c1ccc(Cl)c(Br)c1CSC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
TSHR P16473 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
METTL3 Q86U44 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8729880 0.84 CYP4F2 (0.58) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL7573645 0.83 CYP4F2 (0.45) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL7582249 0.83 CYP4F2 (0.45) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL7582968 0.79 CYP4F2 (0.55) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL9412825 0.77 TSHR (0.53) TSHRCA1CA2CA12CA9
SCHEMBL7584851 0.75 ALDH1A1 (0.43) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL11471582 0.74 CYP4F2 (0.53) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL7573933 0.74 CYP4F2 (0.60) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL8724617 0.73 CYP4F2 (0.46) CYP4F2CYP4A11TSHRBAZ2BBAZ2A
SCHEMBL22853326 0.73 TSHR (0.59) CYP4F2CYP4A11TSHRBAZ2BBAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed