SCHEMBL27699697

SCHEMBL27699697

CC1N(CCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KDM4A O75164 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GNRHR P30968 2/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP6 P55212 1/20 0.30

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
SCHEMBL2677869 0.93 MEN1 (0.36) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL6018477 0.91 MEN1 (0.35) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL14468005 0.90 MAPT (0.36) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL608262 0.85 MAPT (0.36) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL608261 0.85 MAPT (0.36) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL28888799 0.84 MAPT (0.36) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL16696040 0.83 KMT2A (0.35) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL4161849 0.83 MEN1 (0.34) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL3877741 0.82 GNRHR (0.40) KMT2AMEN1MAPTKDM4APOLB
SCHEMBL23724052 0.81 APEX1 (0.36) KMT2AMEN1MAPTKDM4APOLB

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-101022835-A Antibody conjugated cyanine dyes for the diagnosis of micrometastasis BAYER SCHERING PHARMA AG (DE) 2007-08-22 CN disclosed