SCHEMBL5324927

SCHEMBL5324927

O=P(O)(O)C(F)(F)c1ccc(Cn2cc(Cc3ccccc3)c3cc(C(F)(F)F)ccc32)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ICMT O60725 11/20 0.46
PTPN2 P17706 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPRC P08575 1/20 0.45
PLA2G2A P14555 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PLA2G4A P47712 1/20 0.38
HTR6 P50406 1/20 0.38
PTPN5 P54829 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
SCHEMBL5317466 0.90 HDAC1 (0.45) HDAC1HDAC8HDAC6ICMTPTPN2
SCHEMBL5342941 0.90 PLA2G2A (0.51) HDAC1HDAC8HDAC6ICMTPTPN2
SCHEMBL5337560 0.89 HDAC6 (0.55) HDAC1HDAC8HDAC6PTPN2PTPN1
SCHEMBL5320495 0.89 CACNB4 (0.45) HDAC1HDAC8HDAC6ICMTPTPN2
SCHEMBL5320802 0.89 HDAC1 (0.44) HDAC1HDAC8HDAC6ICMTPTPN2
SCHEMBL5339333 0.86 PLA2G2A (0.54) HDAC1HDAC8HDAC6ICMTPTPN2
SCHEMBL14466343 0.77 ICMT (0.42) HDAC1HDAC8HDAC6ICMTPLA2G2A
SCHEMBL5343124 0.77 PTPN1 (0.47) PTPN2PTPN1PTPRC
SCHEMBL5348172 0.76 HDAC6 (0.48) HDAC1HDAC8HDAC6HTR6
SCHEMBL5348177 0.76 HDAC6 (0.46) HDAC1HDAC8HDAC6PTPN2PTPN1

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