SCHEMBL10656339

SCHEMBL10656339

CCOCCOc1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HPGD P15428 1/20 0.46
POLB P06746 5/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 2/20 0.42
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MCL1 Q07820 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL10656336 1.00 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10757983 0.90 MAPT (0.56) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10757993 0.90 MAPT (0.56) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656355 0.85 MAPT (0.48) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656351 0.85 MAPT (0.48) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656030 0.85 MAPT (0.45) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10655609 0.84 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10655606 0.84 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10659850 0.83 MAPT (0.48) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10659845 0.83 MAPT (0.48) MAPTMEN1KMT2AHPGDPOLB

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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed