SCHEMBL5697386

SCHEMBL5697386

O=C(O)Cc1noc2ccccc12.O=C(O)Cc1onc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
MAOB P27338 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44

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
SCHEMBL75124 0.87 MAPT (0.62) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1027461 0.87 SMN1; SMN2 (0.43) MAPTGAAALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5697360 0.85 SMN1; SMN2 (0.42) MAPTGAAALDH1A1SMN1; SMN2LMNA
Methyl Alcohol SCHEMBL11211940 0.84 MAPT (0.63) MAPTGAAALDH1A1SMN1; SMN2RAB9A
Toluene SCHEMBL11204804 0.80 MAPT (0.67) MAPTGAAALDH1A1SMN1; SMN2RAB9A
Benzyl Alcohol SCHEMBL11208104 0.79 MAPT (0.54) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL4907408 0.79 LMNA (0.55) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL10916558 0.75 SMN1; SMN2 (0.57) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2793131 0.73 LMNA (0.58) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7155004 0.73 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682522-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE Wockhardt Limited (IN) 2006-07-26 EP disclosed
WO-2005044808-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE WOCKHARDT LIMITED (IN) 2005-05-19 WO disclosed