SCHEMBL5337560

SCHEMBL5337560

O=P(O)(O)C(F)(F)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
PTPN1 P18031 4/20 0.47
PTPN2 P17706 2/20 0.47
PTPRC P08575 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 2/20 0.42
POLB P06746 1/20 0.41
HTR6 P50406 3/20 0.41
HDAC10 Q969S8 2/20 0.41
CYP19A1 P11511 1/20 0.40
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39

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
SCHEMBL5342941 0.90 PLA2G2A (0.51) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5317466 0.90 HDAC1 (0.45) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5320802 0.89 HDAC1 (0.44) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5320495 0.89 CACNB4 (0.45) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5324927 0.89 HDAC1 (0.46) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5339333 0.87 PLA2G2A (0.54) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5348172 0.85 HDAC6 (0.48) HDAC6HDAC1HDAC8LMNAALDH1A1
SCHEMBL5320081 0.85 PTPN2 (0.45) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5348177 0.85 HDAC6 (0.46) HDAC6HDAC1HDAC8PTPN1PTPN2
SCHEMBL5343124 0.84 PTPN1 (0.47) 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 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