SCHEMBL5763074

SCHEMBL5763074

c1csc(-c2noc(COc3ccc(CCCn4ccnc4)cc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.60
▸ RAB9A P51151 8/20 0.58
▸ NPC1 O15118 7/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ MAPT P10636 4/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ PKM P14618 1/20 0.48
▸ HMOX1 P09601 2/20 0.47
▸ POLB P06746 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ NFKB1 P19838 2/20 0.43

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
SCHEMBL5760515 0.97 FFAR1 (0.59) FFAR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5756965 0.85 FFAR1 (0.59) FFAR1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL5761248 0.83 HMOX1 (0.47) FFAR1HMOX1CYP19A1TBXAS1
SCHEMBL5759372 0.82 HMOX1 (0.48) FFAR1RAB9ANPC1LMNAHMOX1
SCHEMBL5761892 0.80 HMOX1 (0.47) FFAR1LMNAMAPK1HSD17B10HMOX1
SCHEMBL5761441 0.80 HMOX1 (0.47) RAB9ANPC1LMNAHMOX1NFKB1
SCHEMBL5759023 0.79 ATP4A (0.50) LMNAHMOX1KDM4ECYP19A1
SCHEMBL5762941 0.79 HMOX1 (0.49) HMOX1CYP19A1TBXAS1
SCHEMBL5761627 0.79 HMOX1 (0.51) HMOX1CYP19A1TBXAS1
SCHEMBL5759340 0.78 PPARA (0.52) FFAR1MAPK1HSD17B10HMOX1KDM4E

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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