SCHEMBL7495877

SCHEMBL7495877

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 14/20 0.46
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ UBE2N P61088 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL7485651 0.91 P2RY2 (0.47) P2RY2LMNAKDM4EALDH1A1MAPT
SCHEMBL7504709 0.87 P2RY2 (0.39) P2RY2
SCHEMBL7488455 0.86 ATAD2 (0.40) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7507931 0.80 P2RY2 (0.47) P2RY2MAPT
SCHEMBL7840803 0.80 ATAD2 (0.38) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7486706 0.79 P2RY2 (0.37) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7491592 0.78 ALDH1A1 (0.45) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7490690 0.77 P2RY2 (0.40) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7491074 0.77 P2RY2 (0.34) P2RY2LMNAPOLBKDM4EALDH1A1
SCHEMBL7841473 0.76 LMNA (0.37) P2RY2LMNAPOLBUBE2NKDM4E

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
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
EP-0996617-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-05-03 — — EP disclosed
WO-1999002501-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 — — WO disclosed
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