SCHEMBL8096930

SCHEMBL8096930

O=C1CSCN1c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.46
MGLL Q99685 1/20 0.46
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ALOX5 P09917 2/20 0.41
HSD11B1 P28845 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL8096492 0.81 MAPT (0.64) MEN1KMT2AALDH1A1MAPTMGLL
SCHEMBL8099171 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTMGLL
SCHEMBL8096511 0.80 L3MBTL1 (0.53) MEN1KMT2AMAPTMGLLL3MBTL1
SCHEMBL8089771 0.80 MAPT (0.46) MEN1KMT2AALDH1A1MAPTMGLL
SCHEMBL29749625 0.79 MAPT (0.47) MEN1KMT2AALDH1A1MAPTMGLL
SCHEMBL6031714 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTGSK3A
SCHEMBL8099334 0.78 MGLL (0.49) MAPTMGLLALOX5
SCHEMBL8104981 0.76 NSD2 (0.54) MAPTALOX5
SCHEMBL8105974 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTALOX5
SCHEMBL8098475 0.76 CTSG (0.47) MEN1KMT2AALDH1A1MAPTMGLL

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