SCHEMBL6507339

SCHEMBL6507339

Cc1cccc(N(C(=O)c2ccc3c(OCC(=O)O)c(C(=O)O)sc3c2)c2cc[nH]n2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.37
PTPN2 P17706 3/20 0.37
PTPRC P08575 2/20 0.36
MCL1 Q07820 2/20 0.35
RPA1 P27694 1/20 0.34
PTGIR P43119 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BCL2L1 Q07817 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
SCHEMBL6507341 0.82 PTPN1 (0.40) PTPN1PTPN2PTPRC
SCHEMBL4118684 0.76 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL13926050 0.74 MCL1 (0.57) PTPN1PTPN2PTPRCMCL1NPC1
SCHEMBL4120133 0.72 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL4119518 0.72 DYRK1A (0.51) PTPN1PTPN2PTPRC
SCHEMBL4127309 0.70 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL4132071 0.70 PTPN1 (0.42) PTPN1PTPN2PTPRC
SCHEMBL4125935 0.69 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL4125928 0.69 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL4126184 0.68 PTPN1 (0.44) PTPN1PTPN2PTPRC

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-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed