SCHEMBL5318293

SCHEMBL5318293

Cc1cn(Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
PTPN1 P18031 11/20 0.42
PTPN2 P17706 3/20 0.41
PTPRC P08575 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
PPARG P37231 1/20 0.39
EPM2A O95278 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36

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
SCHEMBL5389043 0.91 IDO1 (0.42) IDO1PTPN1PTPN2PTPRCHDAC1
SCHEMBL5319160 0.80 PTPN1 (0.46) PTPN1PTPN2PTPRCHDAC1HDAC2
SCHEMBL5320495 0.79 CACNB4 (0.45) PTPN1PTPN2PTPRCHDAC1HDAC8
SCHEMBL5343124 0.77 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL5337560 0.76 HDAC6 (0.55) PTPN1PTPN2PTPRCHDAC1HDAC2
SCHEMBL5320081 0.76 PTPN2 (0.45) PTPN1PTPN2PTPRCHDAC1HDAC2
SCHEMBL5342941 0.75 PLA2G2A (0.51) PTPN1PTPN2PTPRCHDAC1HDAC8
SCHEMBL5317466 0.75 HDAC1 (0.45) IDO1PTPN1PTPN2PTPRCHDAC1
SCHEMBL4894921 0.75 PTPN1 (0.49) PTPN1PTPN2PTPRCPGK1PGK2
SCHEMBL5320802 0.75 HDAC1 (0.44) PTPN1PTPN2PTPRCHDAC1HDAC8

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
WO-2007081755-A2 INDOLE-BENZIMIDAZOLE AND INDAZOLE INHIBITORS OF TYROSINE PHOSPHATASES METABASIS THERAPEUTICS, INC. (US) 2007-07-19 WO claimed
WO-2007081755-A2 INDOLE-BENZIMIDAZOLE AND INDAZOLE INHIBITORS OF TYROSINE PHOSPHATASES METABASIS THERAPEUTICS, INC. (US) 2007-07-19 WO disclosed