SCHEMBL10656100

SCHEMBL10656100

O=C(O)CCCOc1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SIRT5 Q9NXA8 2/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
SERPINE1 P05121 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 2/20 0.39
PDE2A O00408 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
SCHEMBL10656094 1.00 HPGD (0.45) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10657191 0.97 HPGD (0.44) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10657188 0.97 HPGD (0.44) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10657374 0.88 MAPT (0.46) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL10657357 0.88 MAPT (0.46) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL10657362 0.88 MAPT (0.46) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL10655609 0.87 MAPT (0.49) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10655606 0.87 MAPT (0.49) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10658221 0.86 MAPT (0.47) HPGDMAPTMEN1KMT2ASIRT5
SCHEMBL10658215 0.86 MAPT (0.47) HPGDMAPTMEN1KMT2ASIRT5

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