SCHEMBL7491391

SCHEMBL7491391

CCCc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 5/20 0.39
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DAO P14920 2/20 0.33
▸ POLB P06746 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
SCHEMBL7490690 0.91 P2RY2 (0.40) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7488455 0.88 ATAD2 (0.40) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7840949 0.86 P2RY2 (0.39) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7841237 0.84 LMNA (0.42) LMNAALDH1A1
SCHEMBL7840803 0.82 ATAD2 (0.38) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7486706 0.81 P2RY2 (0.37) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7491592 0.80 ALDH1A1 (0.45) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7485651 0.80 P2RY2 (0.47) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7491074 0.79 P2RY2 (0.34) P2RY2LMNATSHRHSD17B10KDM4E
SCHEMBL7841473 0.78 LMNA (0.37) P2RY2LMNATSHRHSD17B10KDM4E

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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