SCHEMBL6691682

SCHEMBL6691682

O=C(O)c1ccc(SSc2ccc(C(=O)O)c([N+](=O)[O-])c2N2C(=O)CCC2=O)c(N2C(=O)CCC2=O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
DTYMK P23919 1/20 0.36
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
PKM P14618 4/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL28969704 0.76 CA12 (0.35) CA12CA1CA9ALDH1A1MEN1
SCHEMBL3729139 0.72 TSHR (0.46) CA12CA1CA9ALDH1A1MEN1
SCHEMBL4204234 0.72 DTYMK (0.46) CA12CA1CA9DTYMKALDH1A1
SCHEMBL1464495 0.72 DTYMK (0.46) CA12CA1CA9DTYMKALDH1A1
SCHEMBL6006263 0.71 TSHR (0.56) ALDH1A1MEN1MAPTKMT2APKM
SCHEMBL5657466 0.69 TSHR (0.38) DTYMKALDH1A1MEN1MAPTKMT2A
SCHEMBL30252887 0.69 TDP1 (0.54) DTYMKALDH1A1MAPTPKMLMNA
SCHEMBL15956316 0.69 ALDH1A1 (0.53) CA12CA9ALDH1A1MAPTKMT2A
SCHEMBL4904 0.67 POLB (0.57) CA12CA1CA9DTYMKALDH1A1
SCHEMBL1043222 0.67 POLB (0.57) CA12CA1CA9DTYMKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072785-A1 Intravascular delivery of non-viral nucleic acid WOLFF JON A (US) 2004-04-15 US disclosed
EP-1102784-A1 A COMPOUND CONTAINING A LABILE DISULFIDE BOND Mirus Corporation (US) 2001-05-30 EP disclosed
WO-2000075162-A1 A COMPOUND CONTAINING A LABILE DISULFIDE BOND MIRUS CORPORATION (US) 2000-12-14 WO disclosed