SCHEMBL5809271

SCHEMBL5809271

O=C(COc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.71
MAPT P10636 2/20 0.57
RAB9A P51151 1/20 0.53
NPC1 O15118 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL8260320 0.90 HDAC1 (0.67) HDAC1MAPTRAB9ANPC1
SCHEMBL5805563 0.85 HDAC1 (0.73) HDAC1
SCHEMBL8260306 0.84 HDAC1 (0.55) HDAC1MAPTRAB9ANPC1POLB
SCHEMBL5808017 0.84 HDAC1 (0.62) HDAC1MAPTRAB9ANPC1KDM4E
SCHEMBL1893680 0.83 HDAC1 (1.00) HDAC1
SCHEMBL5809353 0.82 HDAC1 (0.54) HDAC1MAPTKDM4E
SCHEMBL1885021 0.81 HDAC1 (0.83) HDAC1MAPT
SCHEMBL1886609 0.80 HDAC1 (1.00) HDAC1
SCHEMBL8258701 0.79 HDAC1 (0.75) HDAC1RAB9ANPC1POLB
SCHEMBL6508547 0.78 HDAC1 (0.76) HDAC1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed