SCHEMBL8090356

SCHEMBL8090356

CSc1cccc(NC(=O)CS)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
POLB P06746 3/20 0.67
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 3/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.56
STAT3 P40763 1/20 0.56

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
SCHEMBL28335090 0.85 MEN1 (1.00) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11679178 0.85 MEN1 (0.77) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL4007599 0.84 MEN1 (0.74) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13741334 0.81 KMT2A (0.70) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11820160 0.81 MEN1 (0.70) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11644158 0.80 MEN1 (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13741525 0.80 MEN1 (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL5208634 0.80 MAPT (0.70) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL17084253 0.80 MEN1 (0.87) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL4888533 0.80 MAPT (0.75) MEN1KMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed