SCHEMBL5756965

SCHEMBL5756965

c1ccc(-c2noc(COc3ccc(CCCn4ccnc4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.59
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HMOX1 P09601 1/20 0.56
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ ADAMTS5 Q9UNA0 1/20 0.52
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ ATP4A P20648 1/20 0.48
▸ ATP4B P51164 1/20 0.48
▸ TBXAS1 P24557 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
SCHEMBL5763074 0.85 FFAR1 (0.60) FFAR1RAB9ANPC1MAPK1TDP1
SCHEMBL5760515 0.82 FFAR1 (0.59) FFAR1RAB9ANPC1MAPK1TDP1
SCHEMBL5759785 0.80 HMOX1 (0.85) HMOX1TBXAS1
SCHEMBL5758141 0.78 HMOX1 (0.52) TDP1L3MBTL1HMOX1ATP4AATP4B
SCHEMBL3504984 0.78 TLR9 (0.61) RAB9ANPC1SMN1; SMN2ATP4AATP4B
SCHEMBL5760668 0.78 FFAR1 (0.59) FFAR1TDP1L3MBTL1HMOX1ATP4A
SCHEMBL5762895 0.78 ATP4A (0.56) HMOX1ATP4AATP4B
SCHEMBL5757778 0.77 HMOX1 (0.83) HMOX1TBXAS1
SCHEMBL5759390 0.77 ATP4A (0.66) HMOX1ATP4AATP4B
SCHEMBL3504601 0.76 QPCT (0.55) LMNATBXAS1

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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