SCHEMBL8751963

SCHEMBL8751963

O=[N+]([O-])c1ccc(-c2cc[nH]c(=S)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 2/20 0.46
GFER P55789 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TYMP P19971 1/20 0.43
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7622866 0.74 MAPK1 (0.47) MAPTPOLBALDH1A1GFERRAB9A
SCHEMBL7620872 0.73 MEN1 (0.48) MAPTL3MBTL1ALDH1A1GFERRAB9A
SCHEMBL25390143 0.73 RAB9A (0.57) MAPTPOLBALDH1A1RAB9ANPC1
SCHEMBL3014712 0.73 MAPT (0.49) MAPTPOLBMCL1RAB9ANPC1
SCHEMBL30461131 0.71 RAB9A (0.64) MAPTPOLBALDH1A1MCL1RAB9A
SCHEMBL6026704 0.70 MAPT (0.49) MAPTPOLBL3MBTL1ALDH1A1MCL1
SCHEMBL8017036 0.70 MAPT (0.51) MAPTPOLBL3MBTL1ALDH1A1MCL1
SCHEMBL30461132 0.69 MAOB (0.54) MAPTPOLBALDH1A1MCL1RAB9A
SCHEMBL10605588 0.69 MAPT (0.46) MAPTPOLBL3MBTL1ALDH1A1MCL1
SCHEMBL1665480 0.69 MAPT (0.54) MAPTPOLBL3MBTL1ALDH1A1MCL1

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
US-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US disclosed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP disclosed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed