SCHEMBL5495745

SCHEMBL5495745

O=POc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
FOLH1 Q04609 1/20 0.51
MCL1 Q07820 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
ALB P02768 1/20 0.44
BCL2 P10415 1/20 0.44
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7594358 0.80 MEN1 (0.56) KDM4EALDH1A1HPGDFOLH1MEN1
SCHEMBL5495740 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL10773951 0.79 MCL1 (0.56) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL10774806 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL7594375 0.76 KDM4E (0.51) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL7492988 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL10775994 0.73 MCL1 (0.58) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL10770989 0.73 PDE9A (0.55) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL11546524 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDFOLH1MCL1
SCHEMBL87871 0.72 KDM4E (0.65) KDM4EALDH1A1HPGDFOLH1MCL1

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