SCHEMBL5759340

SCHEMBL5759340

Cc1oc(-c2cccs2)nc1COc1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.52
▸ HMOX1 P09601 2/20 0.46
▸ PPARG P37231 4/20 0.46
▸ PPARD Q03181 3/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ QPCT Q16769 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL5760940 0.97 PPARA (0.51) PPARAHMOX1PPARGPPARDMAPK1
SCHEMBL5760105 0.84 CYP11B1 (0.46) PPARAHMOX1PPARGHSD17B10FFAR1
SCHEMBL5760119 0.83 HMOX1 (0.47) HMOX1PPARGHSD17B10FFAR1QPCT
SCHEMBL5760866 0.82 TLR9 (0.47) HMOX1MAPK1HSD17B10CYP19A1CYP11B1
SCHEMBL5761892 0.82 HMOX1 (0.47) HMOX1MAPK1HSD17B10FFAR1CYP19A1
SCHEMBL5763009 0.80 TLR9 (0.47) HMOX1MAPK1HSD17B10CYP11B1CYP11B2
SCHEMBL4744872 0.80 PPARA (0.64) PPARAPPARGPPARDHSD17B10FFAR1
SCHEMBL5761819 0.79 HMOX1 (0.47) HMOX1ATP4AATP4BKDM4E
SCHEMBL5759372 0.79 HMOX1 (0.48) HMOX1FFAR1CYP19A1CYP11B1CYP11B2
SCHEMBL5763074 0.78 FFAR1 (0.60) HMOX1MAPK1HSD17B10FFAR1CYP19A1

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
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