SCHEMBL5497865

SCHEMBL5497865

O=C(O)c1[nH]c2ccccc2c1C(F)(F)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.47
FOLH1 Q04609 1/20 0.47
PTPN1 P18031 1/20 0.44
MCL1 Q07820 3/20 0.43
GAA P10253 2/20 0.43
GFER P55789 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP2 P11137 1/20 0.42

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
SCHEMBL8063526 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3918945 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16598516 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29612152 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1144926 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5495740 0.72 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29897041 0.71 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2399274 0.71 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL87871 0.71 KDM4E (0.65) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30366683 0.71 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A

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
US-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US claimed
US-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US disclosed