SCHEMBL8096854

SCHEMBL8096854

O=C1C(O)SCN1c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX5 P09917 2/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
HSD11B1 P28845 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL8090389 0.83 ALDH1A1 (0.43) ALDH1A1MGLLMEN1KMT2AALOX5
SCHEMBL8090453 0.82 ATM (0.48) ATML3MBTL1ALDH1A1MGLLMEN1
SCHEMBL8103211 0.82 FADS1 (0.44) L3MBTL1ALDH1A1MGLLMEN1KMT2A
SCHEMBL8099488 0.82 MAOA (0.47) L3MBTL1ALDH1A1MGLLKMT2AALOX5
SCHEMBL8097531 0.82 FAAH (0.42) ATML3MBTL1ALDH1A1MGLLMEN1
SCHEMBL8097433 0.80 MEN1 (0.44) ATMALDH1A1MEN1KMT2AGSK3A
SCHEMBL8089994 0.79 MGLL (0.45) MGLLKMT2A
SCHEMBL8099371 0.78 NSD2 (0.50) ALOX5
SCHEMBL8103666 0.78 ALOX5 (0.42) ALDH1A1MEN1KMT2AALOX5HSD11B1
SCHEMBL5827269 0.78 MEN1 (0.43) ALDH1A1MEN1KMT2AALOX5ALKBH5

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