SCHEMBL9620570

SCHEMBL9620570

COc1ccc(-c2nc3c(O)cccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.66
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
PKM P14618 1/20 0.60
SULT1A1 P50225 1/20 0.55
ALOX5 P09917 5/20 0.52
PDPK1 O15530 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL9620827 0.84 KDM4E (0.61) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9620598 0.83 APP (0.71) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL316219 0.82 SMN1; SMN2 (0.60) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL20131332 0.81 RAB9A (0.51) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL29873401 0.81 APP (0.68) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL483414 0.81 APP (0.68) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9620668 0.81 APP (0.64) APPSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL13806225 0.80 APP (0.67) APPKDM4ERAB9ANPC1SULT1A1
SCHEMBL315601 0.80 PARP1 (0.58) SMN1; SMN2KDM4ERAB9ANPC1PKM
SCHEMBL316475 0.79 KDM4E (0.56) APPSMN1; SMN2KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306708-B1 NOVEL BENZOTHIAZOLE AND ANTIRHEUMATIC AGENT COMPRISING IT AS AN ACTIVE INGREDIENT KANEBO, LTD. (JP) 1992-01-08 EP disclosed
US-4910211-A Containing a phenyl substituted in position 2 and an ester in position 4 KANEBO LTD. (JP) 1990-03-20 US disclosed
EP-0306708-A1 Novel benzothiazole and antirheumatic agent comprising it as an active ingredient KANEBO, LTD. (JP) 1989-03-15 EP disclosed