SCHEMBL4785568

SCHEMBL4785568

CC1CCN(C(=O)Cc2ccccc2Cc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)CC1.CCNC(=O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C(O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.45
PTPN2 P17706 2/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MCL1 Q07820 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
SCHEMBL3219632 0.90 PTPN1 (0.53) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL4556367 0.90 PTPN1 (0.53) PTPN1PTPN2MCL1
SCHEMBL3216202 0.87 PTPN1 (0.56) PTPN1PTPN2MCL1
SCHEMBL4785563 0.85 PTPN1 (0.37) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL3219890 0.82 PTPN1 (0.58) PTPN1PTPN2MAPTHPGDTSHR
SCHEMBL4556368 0.80 PTPN1 (0.51) PTPN1PTPN2KMT2A
SCHEMBL3919898 0.76 PTPN1 (0.43) PTPN1PTPN2HTTNPC1RAB9A
SCHEMBL2938403 0.75 PTPN1 (0.60) PTPN1PTPN2ALDH1A1
SCHEMBL27737670 0.74 PTPN1 (0.35) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL649557 0.72 PTPN1 (0.64) PTPN1PTPN2

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