SCHEMBL10656355

SCHEMBL10656355

CC(=O)OCCOc1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HPGD P15428 1/20 0.44
POLB P06746 5/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PTPN1 P18031 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL10656351 1.00 MAPT (0.48) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10658215 0.95 MAPT (0.47) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10658221 0.95 MAPT (0.47) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656339 0.85 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656336 0.85 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656100 0.84 HPGD (0.45) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10656094 0.84 HPGD (0.45) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10655606 0.84 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10655609 0.84 MAPT (0.49) MAPTMEN1KMT2AHPGDPOLB
SCHEMBL10757993 0.84 MAPT (0.56) 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