SCHEMBL8724312

SCHEMBL8724312

COC(=O)C(Cc1c[nH]c2ccccc12)P(=O)(OC)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
HCRTR1 O43613 1/20 0.57
MIF P14174 1/20 0.56
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
APAF1 O14727 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
NPBWR1 P48145 1/20 0.49

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
SCHEMBL10276380 0.80 KDM4E (0.72) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL8258964 0.80 KDM4E (0.72) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL30682399 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL13790109 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL30912054 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL30912053 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL6286138 0.80 MEN1 (0.60) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL6855264 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
SCHEMBL29769924 0.80 SMN1; SMN2 (0.69) KMT2AMEN1HCRTR1MIFMAPT
Tryptophan Methyl Ester SCHEMBL475267 0.79 MEN1 (0.70) KMT2AMEN1HCRTR1MIFMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed