SCHEMBL27612756

SCHEMBL27612756

O/C=C/Cc1csc(-c2ncccn2)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL27612819 0.82 KDM4E (0.42) HDAC1
SCHEMBL27612821 0.75 RPS6KB2 (0.33) —
SCHEMBL27612983 0.71 CYP19A1 (0.31) —
SCHEMBL27613062 0.69 ADRB2 (0.53) —
SCHEMBL27612769 0.69 HDAC1 (0.45) HDAC1
SCHEMBL28751296 0.69 CLK4 (0.41) —
SCHEMBL6852906 0.68 ALDH1A1 (0.35) —
SCHEMBL6852901 0.68 ALDH1A1 (0.35) —
SCHEMBL1247038 0.64 — —
SCHEMBL6848003 0.63 KDM4E (0.34) 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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
Send feedback