SCHEMBL6175301

SCHEMBL6175301

O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4nc5ccccc5s4)c3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.71
CYSLTR2 Q9NS75 1/20 0.54
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL6176265 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2NPC1RAB9AL3MBTL1
SCHEMBL6175748 0.83 CYSLTR1 (1.00) CYSLTR1CYSLTR2
SCHEMBL6174551 0.83 CYSLTR1 (1.00) CYSLTR1CYSLTR2
SCHEMBL6176758 0.81 CYSLTR1 (0.75) CYSLTR1CYSLTR2
SCHEMBL6174519 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2NPC1RAB9ASMN1; SMN2
SCHEMBL6175927 0.78 CYSLTR1 (1.00) CYSLTR1CYSLTR2
SCHEMBL6175902 0.75 CYSLTR1 (1.00) CYSLTR1CYSLTR2
SCHEMBL6177251 0.74 CYSLTR1 (0.81) CYSLTR1CYSLTR2
SCHEMBL6174892 0.73 CYSLTR1 (0.81) CYSLTR1CYSLTR2
SCHEMBL6176769 0.72 CYSLTR1 (1.00) CYSLTR1

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-0834510-B1 Flavone derivative and medicine comprising the same KOWA CO (JP) 2005-02-23 EP disclosed
US-6136848-A ANTIALLERGENS; ASTHMA THERAPY KOWA CO., LTD. (JP) 2000-10-24 US disclosed
EP-0834510-A2 Flavone derivative and medicine comprising the same KOWA CO. LTD. (JP) 1998-04-08 EP disclosed