SCHEMBL7491790

SCHEMBL7491790

O=C(O)CSc1nccc(-n2cc(C3c4ccccc4C=Cc4ccccc43)c(=O)[nH]c2=O)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 10/20 0.47
▸ ALOX15 P16050 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CXCL12 P48061 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL7488855 0.91 P2RY2 (0.49) P2RY2ALOX15CXCL12
SCHEMBL7489807 0.81 P2RY2 (0.47) P2RY2
SCHEMBL7490022 0.81 P2RY2 (0.46) P2RY2ALOX15ALDH1A1HPGDALOX12
SCHEMBL7488052 0.79 P2RY2 (0.44) P2RY2
SCHEMBL7486664 0.73 P2RY2 (0.50) P2RY2
SCHEMBL7492915 0.72 P2RY2 (0.49) P2RY2
SCHEMBL7594879 0.69 P2RY2 (0.51) P2RY2ALDH1A1PPARA
SCHEMBL7493681 0.69 P2RY2 (0.43) P2RY2ALDH1A1
SCHEMBL8189545 0.68 P2RY2 (0.39) P2RY2ALOX15ALDH1A1HPGDHSD17B10
SCHEMBL7490819 0.66 P2RY2 (0.39) P2RY2ALDH1A1ALOX12HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996617-B1 2,4-Dithi(oxo)-pyridin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists ASTRAZENECA AB (SE) 2002-01-09 — — EP disclosed
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