SCHEMBL5495740

SCHEMBL5495740

O=C(O)c1[nH]c2ccccc2c1OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
FOLH1 Q04609 1/20 0.47
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 4/20 0.44
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.42
PDE3A Q14432 1/20 0.42
MAP2 P11137 1/20 0.42
SRC P12931 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
SCHEMBL5495745 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7594358 0.79 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2246482 0.79 NR4A2 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10773951 0.78 MCL1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7492988 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7594375 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10774806 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2813085 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31998462 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5497865 0.72 KDM4E (0.51) 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