SCHEMBL5758931

SCHEMBL5758931

Oc1ccc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
HMOX1 P09601 2/20 0.47
TLR9 Q9NR96 1/20 0.46
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TBXAS1 P24557 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
NOS1 P29475 1/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42

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
SCHEMBL5762522 0.91 KDM4E (0.53) FFAR1HMOX1TLR9CYP19A1KDM4E
SCHEMBL5760668 0.91 FFAR1 (0.59) FFAR1HMOX1TLR9KDM4EALDH1A1
SCHEMBL5759974 0.90 HMOX1 (0.62) FFAR1HMOX1TLR9CYP19A1KDM4E
SCHEMBL5763118 0.90 HMOX1 (0.50) FFAR1HMOX1TLR9CYP19A1KDM4E
SCHEMBL5758811 0.90 KDM4E (0.56) FFAR1HMOX1TLR9CYP19A1KDM4E
SCHEMBL5758727 0.90 KDM4E (0.50) FFAR1HMOX1TLR9CYP19A1KDM4E
SCHEMBL5758954 0.89 FFAR1 (0.51) FFAR1HMOX1TLR9CYP19A1TBXAS1
SCHEMBL5762143 0.88 FFAR1 (0.58) FFAR1HMOX1TLR9KDM4EALDH1A1
SCHEMBL5760342 0.88 HMOX1 (0.61) FFAR1HMOX1CYP19A1KDM4EALDH1A1
SCHEMBL5759018 0.88 HMOX1 (0.50) FFAR1HMOX1TLR9KDM4EALDH1A1

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
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed