SCHEMBL8307840

SCHEMBL8307840

CCOC(=O)c1ccc(Br)c(OCCCl)c1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL8489353 0.87 ALDH1A1 (0.45) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8309085 0.87 CYP4F2 (0.42) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8309761 0.85 KMT2A (0.43) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8489108 0.84 MEN1 (0.48) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8310463 0.84 HSD17B10 (0.38) TSHRALDH1A1KDM4EHSD17B10
SCHEMBL8307714 0.82 TSHR (0.38) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8307721 0.80 TSHR (0.38) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8308697 0.76 MAPT (0.37) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL8308298 0.76
SCHEMBL8309730 0.75

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed