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SCHEMBL4785563

SCHEMBL4785563

CCNC(=O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(OC(=O)Cc2ccccc2Cc2ccc(N3CC(=O)NS3(=O)=O)c(Oc3cc(Cc4ccccc4CC(=O)N4CCC(C)CC4)ccc3N3CC(=O)NS3(=O)=O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.37
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL4556368 0.85 PTPN1 (0.51) PTPN1KMT2A
SCHEMBL4785568 0.85 PTPN1 (0.45) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL3219632 0.80 PTPN1 (0.53) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL3919898 0.80 PTPN1 (0.43) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL3216202 0.77 PTPN1 (0.56) PTPN1
SCHEMBL4556367 0.74 PTPN1 (0.53) PTPN1
SCHEMBL3917680 0.72 PTPN1 (0.45) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL2938403 0.70 PTPN1 (0.60) PTPN1
SCHEMBL3920465 0.69 PTPN1 (0.45) PTPN1
SCHEMBL1908997 0.66 PTPN1 (0.45) PTPN1MEN1KMT2ATDP1

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