SCHEMBL5343124

SCHEMBL5343124

O=P(O)(O)C(F)(F)c1ccc(Cn2cc(-c3ccccc3)c3ccccc32)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.47
PTPN2 P17706 2/20 0.47
PTPRC P08575 2/20 0.47
F2RL3 Q96RI0 1/20 0.42
CDC14B O60729 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ESR1 P03372 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
SCHEMBL5337560 0.84 HDAC6 (0.55) PTPN1PTPN2PTPRC
SCHEMBL5319160 0.84 PTPN1 (0.46) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL5320081 0.80 PTPN2 (0.45) PTPN1PTPN2PTPRC
SCHEMBL5322648 0.80 PTPN1 (0.51) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL5342941 0.77 PLA2G2A (0.51) PTPN1PTPN2PTPRC
SCHEMBL5317466 0.77 HDAC1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL5318293 0.77 IDO1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL5320802 0.77 HDAC1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL5320495 0.77 CACNB4 (0.45) PTPN1PTPN2PTPRC
SCHEMBL5324927 0.77 HDAC1 (0.46) 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-2007081755-A2 INDOLE-BENZIMIDAZOLE AND INDAZOLE INHIBITORS OF TYROSINE PHOSPHATASES METABASIS THERAPEUTICS, INC. (US) 2007-07-19 WO claimed