SCHEMBL8096935

SCHEMBL8096935

O=C1CSC(c2cccc(Br)c2)N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.42
KDM1A O60341 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC4 P56524 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8099174 0.81 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1KMT2A
SCHEMBL8089821 0.81 GFER (0.56) GFERSMN1; SMN2GAAL3MBTL1KMT2A
SCHEMBL8089772 0.81 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089828 0.81 SMN1; SMN2 (0.54) GFERSMN1; SMN2GAAL3MBTL1KMT2A
SCHEMBL5450446 0.79 SMN1; SMN2 (0.59) GFERSMN1; SMN2GAAL3MBTL1KMT2A
SCHEMBL8098930 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1KDM4E
SCHEMBL8103620 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1KDM1A
SCHEMBL8103930 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1KMT2A
SCHEMBL8104985 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8090311 0.77 GFER (0.63) GFERSMN1; SMN2GAAL3MBTL1KMT2A

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