SCHEMBL6984320

SCHEMBL6984320

COc1ccc(-c2nc3ccc(OC)cc3s2)cc1.COc1ccc2nc(Br)sc2c1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.72
GLA P06280 1/20 0.69
GAA P10253 1/20 0.69
SULT1A1 P50225 1/20 0.68
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SNCA P37840 1/20 0.60

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
SCHEMBL5429982 0.93 APP (0.83) APPGLAGAASULT1A1KDM4E
SCHEMBL21752042 0.90 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL299010 0.88 CYP1A2 (0.67) APPGLAGAANPC1RAB9A
SCHEMBL5419850 0.87 SULT1A1 (0.70) APPGLAGAASULT1A1KDM4E
SCHEMBL26017584 0.85 APP (0.76) APPGLAGAASULT1A1SNCA
SCHEMBL1983003 0.84 APP (0.71) APPGLAGAASULT1A1KDM4E
SCHEMBL23766560 0.84 APP (0.74) APPGLAGAASULT1A1KDM4E
SCHEMBL1572680 0.84 APP (1.00) APPGLAGAASULT1A1
SCHEMBL4801119 0.84 SULT1A1 (0.84) APPGLAGAASULT1A1SMN1; SMN2
SCHEMBL1572797 0.84 APP (0.74) APPGLAGAASULT1A1KDM4E

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-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed