SCHEMBL6982547

SCHEMBL6982547

COc1ccc(-c2nc3ccc(OC)c(Br)c3s2)cc1.COc1ccc2nc(Br)sc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SULT1A1 P50225 1/20 0.47
APP P05067 7/20 0.44
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ALOX5 P09917 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL5434005 0.96 KDM4E (0.51) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5419829 0.84 ALDH1A1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL6984320 0.74 APP (0.72) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL2136886 0.73 KDM4E (0.54) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL19435575 0.72 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2676990 0.71 ALDH1A1 (0.57) KDM4E
SCHEMBL34471465 0.71 CYP3A4 (0.45) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL10032140 0.70 APP (0.52) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5419850 0.70 SULT1A1 (0.70) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5429982 0.68 APP (0.83) KDM4ENPC1PKMRAB9ASMN1; SMN2

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