SCHEMBL27715840

SCHEMBL27715840

NNC(N)c1ccc(C(F)(F)P(=O)(O)O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.46
PTPN2 P17706 8/20 0.46
PTPRC P08575 1/20 0.38
CDC14B O60729 1/20 0.38
CDC14A Q9UNH5 1/20 0.38

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
SCHEMBL27695973 0.84 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL3738707 0.81 PTPN1 (0.50) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL3736650 0.81 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL4865776 0.80 PTPN5 (0.53) PTPN1PTPN2
Acetaldehyde SCHEMBL27715843 0.78 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL5987864 0.76 PTPN1 (0.61) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL7598901 0.74 PTPN1 (0.47) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL4862123 0.74 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL3742909 0.73 PTPN1 (0.53) PTPN1PTPN2PTPRC
SCHEMBL7197814 0.73 PTPN1 (0.46) PTPN1PTPN2PTPRCCDC14BCDC14A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN claimed
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed