SCHEMBL4347791

SCHEMBL4347791

O=c1ccn(CSSCn2ccc(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
CRBN Q96SW2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DUT P33316 8/20 0.45
DDB1 Q16531 1/20 0.42
ENPP1 P22413 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL8064655 0.84 PKM (0.51) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL338055 0.81 ALDH1A1 (0.56) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL10924758 0.80 PKM (0.55) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL4348697 0.80 L3MBTL1 (0.59) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL6102943 0.78 CRBN (0.56) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL2983407 0.78 ALDH1A1 (0.57) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL4372127 0.77 PKM (0.51) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL7203159 0.77 PKM (0.51) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL8377765 0.77 PKM (0.51) ALDH1A1LMNAPKMCRBNL3MBTL1
SCHEMBL1923335 0.77 PKM (0.61) ALDH1A1LMNAPKMCRBNL3MBTL1

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-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP claimed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO claimed