SCHEMBL10936144

SCHEMBL10936144

CC(C)(C)c1ccc(Sc2ccc(Nc3ccccc3)c3c2C(=O)c2c(Sc4ccc(C(C)(C)C)cc4)ccc(Sc4ccc(C(C)(C)C)cc4)c2C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 4/20 0.39
▸ P2RY12 Q9H244 4/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ P2RY1 P47900 3/20 0.39
▸ P2RY6 Q15077 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ P4HB P07237 1/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.35
▸ UQCRB P14927 1/20 0.34

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
SCHEMBL16403521 0.95 MAPT (0.41) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL10935194 0.86 MAPT (0.50) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL14508831 0.86 MAPT (0.50) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL11603194 0.86 MAPT (0.50) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL14508832 0.85 P2RY2 (0.37) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL16402888 0.85 MAPT (0.51) KDM4EMAPTNSD2MAPK1SLC6A9
SCHEMBL14489850 0.85 AKR1C3 (0.47) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL10723607 0.85 MAPT (0.51) KDM4EMAPTNSD2MAPK1SLC6A9
SCHEMBL14508833 0.82 GSK3B (0.35) P2RY4P2RY12P2RY2P2RY1P2RY6
SCHEMBL13110649 0.82 HPGD (0.36) P2RY4P2RY12P2RY2P2RY1P2RY6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049035-B1 ORGANIC COMPOSITIONS SUITABLE FOR A GUEST-HOST LIQUID CRYSTAL DEVICE The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-10-23 — — EP disclosed
US-4405211-A CLOCKS; DISPLAYING; OPTICAL APPARATUS; ELECTRICAL THIN FILMS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1983-09-20 — — US disclosed
EP-0049035-A1 Organic compositions suitable for a guest-host liquid crystal device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-04-07 — — EP disclosed
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