SCHEMBL12050293

SCHEMBL12050293

Cn1c(=O)ccc2cc(S(=O)(=O)Nc3ccccc3C=O)ccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 14/20 0.67
BRD1 O95696 10/20 0.67
BRD9 Q9H8M2 5/20 0.67
BRD4 O60885 4/20 0.67
BRPF3 Q9ULD4 6/20 0.60
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.45

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
SCHEMBL13742709 0.84 BRPF1 (0.71) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL17560706 0.81 BRPF1 (0.67) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL12050292 0.81 BRPF1 (0.65) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL19435605 0.75 BRPF1 (1.00) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL17560722 0.72 BRPF1 (0.79) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL17576240 0.71 BRPF1 (1.00) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL15820897 0.71 CYP2C9 (1.00) CYP2C9CYP2C19ALDH1A1GAAPOLB
SCHEMBL17560671 0.71 BRPF1 (0.77) BRPF1BRD1BRD9BRD4BRPF3
SCHEMBL24112013 0.71 SCN9A (0.65) BRPF1BRD1BRD9BRD4
SCHEMBL17576266 0.71 BRPF1 (1.00) BRPF1BRD1BRD9BRD4BRPF3

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
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed