SCHEMBL7201002

SCHEMBL7201002

Cc1c(CSSc2ccccn2)ccc(S(=O)(=O)O)c1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 2/20 0.32
METAP2 P50579 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL29164212 0.83 KMT2A (0.38) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL1888896 0.79 ALDH1A1 (0.37) POLBALDH1A1PKMLMNAKMT2A
SCHEMBL1746858 0.78 ALDH1A1 (0.35) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL8328957 0.77 ALDH1A1 (0.39) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL5133715 0.75 LMNA (0.36) POLBALDH1A1PKMLMNAKMT2A
SCHEMBL342420 0.74 POLB (0.45) POLBALDH1A1PKMKMT2AMEN1
SCHEMBL2050166 0.74 HDAC1 (0.31) LMNA
SCHEMBL15698867 0.72 ALDH1A1 (0.32) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL12092095 0.71 LMNA (0.42) POLBALDH1A1PKMLMNAKMT2A
SCHEMBL43414 0.71 POLB (0.41) POLBALDH1A1PKMLMNAKMT2A

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-2003104424-A2 NOVEL MOLECULAR CONJUGATES FOR SIGNAL AMPLIFICATION THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-18 WO disclosed