SCHEMBL7344946

SCHEMBL7344946

N#Cc1cc2c([nH]c1=O)CCc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 2/20 0.48
GALR3 O60755 1/20 0.48
USP8 P40818 1/20 0.41
USP7 Q93009 1/20 0.41
HSD11B1 P28845 1/20 0.41
HSD11B2 P80365 1/20 0.41
MCL1 Q07820 3/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL7340095 0.92 KDM4E (0.60) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL7335808 0.92 KDM4E (0.64) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL7340522 0.87 KDM4E (0.49) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL11123162 0.82 KDM4E (0.45) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL11075877 0.82 KDM4E (0.45) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL7346402 0.81 KDM4E (0.48) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL7338824 0.81 KDM4E (0.48) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL7336559 0.80 KDM4E (0.46) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL11070942 0.78 KDM4E (0.44) KDM4ENPSR1ALDH1A1HPGDGAA
SCHEMBL11074845 0.78 KDM4E (0.44) KDM4ENPSR1ALDH1A1HPGDGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US claimed
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed