SCHEMBL7491074

SCHEMBL7491074

Cc1ccc2c(c1)C=Cc1cc(C(C)C)ccc1C2c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.34
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NT5E P21589 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL7488455 0.90 ATAD2 (0.40) P2RY2POLBLMNAATAD2MEN1
SCHEMBL7840803 0.84 ATAD2 (0.38) P2RY2POLBLMNAATAD2MEN1
SCHEMBL7486706 0.83 P2RY2 (0.37) P2RY2POLBLMNAATAD2MEN1
SCHEMBL7491592 0.82 ALDH1A1 (0.45) P2RY2POLBLMNAKMT2AALDH1A1
SCHEMBL7490690 0.81 P2RY2 (0.40) P2RY2POLBLMNAMEN1KMT2A
SCHEMBL7841473 0.80 LMNA (0.37) P2RY2POLBLMNAATAD2MEN1
SCHEMBL7491391 0.79 P2RY2 (0.39) P2RY2POLBLMNAMEN1KMT2A
SCHEMBL7840949 0.79 P2RY2 (0.39) P2RY2POLBLMNAMEN1KMT2A
SCHEMBL7841890 0.79 LMNA (0.36) P2RY2POLBLMNAATAD2MEN1
SCHEMBL7503494 0.77 LMNA (0.33) P2RY2POLBLMNAATAD2MEN1

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 4 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
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 — — US 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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