SCHEMBL6272173

SCHEMBL6272173

[O]c1c(-c2nnn[nH]2)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.61
PTPN2 P17706 11/20 0.57
PTPRC P08575 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL6272179 0.92 PTPN1 (0.62) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6275172 0.92 PTPN1 (0.58) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906624 0.87 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6275177 0.87 PTPN1 (0.60) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263306 0.86 PTPN1 (0.78) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL13867971 0.86 PTPN1 (0.71) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907417 0.85 PTPN1 (0.70) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911951 0.84 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908145 0.82 PTPN1 (0.75) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3903963 0.82 PTPN1 (0.74) PTPN1PTPN2PTPRCCYP2C9

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed