SCHEMBL7485651

SCHEMBL7485651

CCc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1c[nH]c(=O)[nH]c1=S

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 14/20 0.47
▸ BRD4 O60885 1/20 0.37
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL7495877 0.91 P2RY2 (0.46) P2RY2LMNAMAPTKDM4EALDH1A1
SCHEMBL7490690 0.88 P2RY2 (0.40) P2RY2BRD4LMNAKDM4EMEN1
SCHEMBL7841237 0.82 LMNA (0.42) BRD4LMNAALDH1A1
SCHEMBL7491391 0.80 P2RY2 (0.39) P2RY2LMNAKDM4EMEN1ALDH1A1
SCHEMBL7507931 0.79 P2RY2 (0.47) P2RY2MAPTRXFP1
SCHEMBL7504709 0.78 P2RY2 (0.39) P2RY2
SCHEMBL7488455 0.78 ATAD2 (0.40) P2RY2LMNAKDM4EMEN1ALDH1A1
SCHEMBL7840949 0.77 P2RY2 (0.39) P2RY2LMNAKDM4EMEN1ALDH1A1
SCHEMBL7492166 0.75 LMNA (0.43) BRD4LMNAALDH1A1
SCHEMBL7490270 0.75 P2RY2 (0.35) P2RY2BRD4KDM4EMEN1ALDH1A1

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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