SCHEMBL5760342

SCHEMBL5760342

c1ccc(COc2ccc(-c3nc(COc4ccc(CCCCn5ccnc5)cc4)co3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.61
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 1/20 0.52
QPCT Q16769 1/20 0.50
ATP4A P20648 3/20 0.48
ATP4B P51164 3/20 0.48
LTA4H P09960 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL5759974 0.97 HMOX1 (0.62) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5762143 0.95 FFAR1 (0.58) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5761107 0.93 HMOX1 (0.52) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5760668 0.92 FFAR1 (0.59) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5759324 0.90 HMOX1 (0.53) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5761656 0.90 FFAR1 (0.55) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5756550 0.89 HMOX1 (0.57) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5758811 0.89 KDM4E (0.56) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5763118 0.89 HMOX1 (0.50) HMOX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5758931 0.88 FFAR1 (0.50) HMOX1KDM4EALDH1A1HPGDHSD17B10

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
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