SCHEMBL10657191

SCHEMBL10657191

O=C(O)CCCCOc1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SIRT5 Q9NXA8 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SERPINE1 P05121 3/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 3/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40

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
SCHEMBL10657188 1.00 HPGD (0.44) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10656100 0.97 HPGD (0.45) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10656094 0.97 HPGD (0.45) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10659845 0.88 MAPT (0.48) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10659850 0.88 MAPT (0.48) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10657362 0.87 MAPT (0.46) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10657374 0.87 MAPT (0.46) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10657357 0.87 MAPT (0.46) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10658221 0.85 MAPT (0.47) HPGDMAPTPOLBMEN1KMT2A
SCHEMBL10658215 0.85 MAPT (0.47) HPGDMAPTPOLBMEN1KMT2A

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