SCHEMBL6267294

SCHEMBL6267294

O=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(-c3sc(-c4nn[nH]n4)[c]c3Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.64
PTPN2 P17706 10/20 0.51
PTPRC P08575 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6265495 0.84 PTPN1 (0.69) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263306 0.84 PTPN1 (0.78) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265498 0.82 PTPN1 (0.70) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263312 0.82 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3913254 0.82 PTPN1 (0.86) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909302 0.79 PTPN1 (0.86) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3903775 0.78 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6275172 0.77 PTPN1 (0.58) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6275177 0.75 PTPN1 (0.60) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267918 0.75 PTPN1 (0.57) 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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed