SCHEMBL5322648

SCHEMBL5322648

O=P(O)(O)C(F)(F)c1ccc(Cn2c3ccccc3c3ccccc32)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.51
PTPN2 P17706 3/20 0.51
PTPRC P08575 2/20 0.51
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
CDC14B O60729 1/20 0.43
CDC14A Q9UNH5 1/20 0.43
CYP19A1 P11511 1/20 0.42
HDAC3 O15379 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK10 P53779 1/20 0.39
FOLH1 Q04609 1/20 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
SCHEMBL5344606 0.89 HDAC1 (0.53) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5319947 0.86 CA1 (0.56) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5340406 0.85 CA1 (0.57) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL14467239 0.85 CA1 (0.57) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5319152 0.85 CA1 (0.57) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5318338 0.81 PTPN1 (0.48) PTPN1PTPN2PTPRCALDH1A1KMT2A
SCHEMBL5319160 0.81 PTPN1 (0.46) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5343124 0.80 PTPN1 (0.47) PTPN1PTPN2PTPRCCDC14BCDC14A
SCHEMBL5348477 0.80 PTPN1 (0.44) PTPN1PTPN2PTPRCHDAC6HDAC1
SCHEMBL5321901 0.79 MAPT (0.44) PTPN1PTPN2PTPRCHDAC6HDAC1

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