SCHEMBL7367419

SCHEMBL7367419

COc1ccc(CNC(=O)OCc2ccccc2)cc1OCC(=O)N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
USP2 O75604 1/20 0.51
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL7373471 0.91 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL7370262 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL7373299 0.85 ITGB3 (0.54) NPC1PKMRAB9AFLT1KDR
SCHEMBL7375943 0.85 KDM4E (0.52) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL7373867 0.84 CYP3A4 (0.55) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL7370820 0.81 CACNA1F (0.55) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL7367826 0.80 CYP3A4 (0.51) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL7377172 0.80 CACNA1F (0.54) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL7647107 0.80 NPC1 (0.59) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL7372045 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed