SCHEMBL3097777

SCHEMBL3097777

NC(=O)C(Cc1c[nH]c2ccccc12)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.49
APAF1 O14727 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR2A P28223 2/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL3097788 1.00 KDM4E (0.52) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2985752 0.89 SMN1; SMN2 (0.58) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2985756 0.89 SMN1; SMN2 (0.58) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3100866 0.88 ALDH1A1 (0.46) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2987309 0.80 CDK4 (0.49) KDM4EMAPTMEN1LMNAMPO
SCHEMBL10384652 0.76 MAPT (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL12222321 0.76 SMN1; SMN2 (0.48) KDM4EMAPTMEN1LMNAMPO
SCHEMBL6428126 0.76 SMN1; SMN2 (0.48) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3103334 0.76 MC5R (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3103327 0.76 MC5R (0.55) KDM4EMAPTMEN1LMNAMPO

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed