SCHEMBL7490022

SCHEMBL7490022

O=C(O)CSc1ccc(-n2cc(C3c4ccccc4C=Cc4ccccc43)c(=O)[nH]c2=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 11/20 0.46
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL7492915 0.91 P2RY2 (0.49) P2RY2KDM4EPRNPRXFP1
SCHEMBL7487605 0.82 P2RY2 (0.40) P2RY2ALDH1A1HPGDALOX15ALOX12
SCHEMBL7491790 0.81 P2RY2 (0.47) P2RY2ALDH1A1HPGDALOX15ALOX12
SCHEMBL7493681 0.78 P2RY2 (0.43) P2RY2ALDH1A1KDM4E
SCHEMBL7486881 0.74 P2RY2 (0.38) P2RY2
SCHEMBL7488855 0.72 P2RY2 (0.49) P2RY2ALOX15
SCHEMBL7489807 0.72 P2RY2 (0.47) P2RY2
SCHEMBL7594879 0.71 P2RY2 (0.51) P2RY2ALDH1A1KDM4EL3MBTL1
SCHEMBL7488052 0.68 P2RY2 (0.44) P2RY2
SCHEMBL7492589 0.66 P2RY2 (0.40) P2RY2

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 2 patents. 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
US-6107297-A 2,4-Dithi(oxo)-pyrimidin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists ASTRA PHARMACEUTICALS LIMITED (GB) 2000-08-22 — — US disclosed
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