SCHEMBL11068699

SCHEMBL11068699

N#Cc1cc2c([nH]c1=O)OCc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
GALR3 O60755 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GLA P06280 4/20 0.41
PIM1 P11309 3/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
KMT2A Q03164 2/20 0.39
MCL1 Q07820 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE5A O76074 1/20 0.38

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
SCHEMBL11067826 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11123162 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11075131 0.78 MAOB (0.47) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL11071298 0.78 MAOA (0.47) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL11073964 0.78 MAOA (0.47) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL7340522 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL11073229 0.75 MAOA (0.44) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL11068819 0.75 MAOA (0.44) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL11071902 0.75 MAOA (0.44) KDM4EALDH1A1HPGDGAAMAOA
SCHEMBL11075452 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDGAAGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US claimed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP claimed
US-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed