SCHEMBL4783200

SCHEMBL4783200

Cc1cc(C)cc(S(=O)(=O)NCCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1.Cc1ccc(C)c(S(=O)(=O)NCCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 5/20 0.42
LMNA P02545 4/20 0.37
HPGD P15428 3/20 0.37
PTPN2 P17706 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3213066 0.95 TDP1 (0.50) TDP1PTPN1LMNAHPGDPTPN2
SCHEMBL2934340 0.93 PTPN1 (0.47) TDP1PTPN1PTPN2KMT2APOLB
SCHEMBL2934077 0.85 PTPN1 (0.46) PTPN1LMNAPTPN2KMT2APOLB
SCHEMBL2933075 0.82 PTPN1 (0.45) PTPN1PTPN2POLBTP53ALDH1A1
SCHEMBL3202520 0.82 PTPN1 (0.48) PTPN1LMNAPTPN2POLBPKM
SCHEMBL3200992 0.82 PTPN1 (0.45) PTPN1LMNAHPGDPTPN2HTT
SCHEMBL3216007 0.80 PTPN1 (0.47) PTPN1PTPN2POLBRAB9AMAPT
SCHEMBL3221264 0.80 PTPN1 (0.47) TDP1PTPN1PTPN2KMT2APOLB
SCHEMBL3225865 0.80 PTPN1 (0.53) PTPN1PTPN2POLB
SCHEMBL3213374 0.80 PTPN1 (0.43) PTPN1LMNAHPGDPTPN2HTT

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-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed