SCHEMBL8260464

SCHEMBL8260464

O=C(CCN1CCCCC1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.55
TACR2 P21452 11/20 0.53

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
SCHEMBL5809054 0.93 TACR2 (0.50) HDAC1TACR2
SCHEMBL8260770 0.86 HDAC1 (0.63) HDAC1
SCHEMBL8255855 0.85 HDAC1 (0.61) HDAC1
SCHEMBL5805384 0.85 HDAC1 (0.61) HDAC1
SCHEMBL8258867 0.85 HDAC1 (0.55) HDAC1
SCHEMBL5808207 0.85 HDAC1 (0.55) HDAC1
SCHEMBL8259003 0.84 HDAC1 (0.60) HDAC1
SCHEMBL8260313 0.83 HDAC1 (0.56) HDAC1
SCHEMBL5809231 0.82 HDAC1 (0.67) HDAC1
SCHEMBL8259001 0.82 HDAC1 (0.67) HDAC1

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 disclosed