SCHEMBL8532468

SCHEMBL8532468

Cc1ccc(-c2cccc(C(=N)N)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 7/20 0.39
▸ PLAT P00750 6/20 0.39
▸ KLKB1 P03952 5/20 0.39
▸ PRSS1 P07477 5/20 0.39
▸ PRSS2 P07478 5/20 0.39
▸ PRSS3 P35030 5/20 0.39
▸ F7 P08709 4/20 0.39
▸ ENPP1 P22413 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ MYC P01106 1/20 0.35
▸ HEXA P06865 1/20 0.35
▸ HEXB P07686 1/20 0.35
▸ BCAT2 O15382 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ F10 P00742 3/20 0.34
▸ F2 P00734 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 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
SCHEMBL6832583 0.84 BCAT2 (0.50) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL7862971 0.83 SLC6A4 (0.41) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL11142513 0.77 POLB (0.54) MYC
SCHEMBL3355657 0.75 ENPP1 (0.42) ENPP1MYCHEXAHEXBPTGS1
SCHEMBL28628791 0.75 PLAU (0.49) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL26612817 0.74 PLAU (0.49) PLAUPLATKLKB1PRSS1PRSS2
Methane SCHEMBL11860700 0.74 ENPP1 (0.41) ENPP1MYCHEXAHEXBPTGS1
SCHEMBL7870792 0.73 MYC (0.50) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL29706607 0.72 MAOA (0.43) ENPP1PARP1PTGS1PTGS2COMT
SCHEMBL4843094 0.72 ADORA2A (0.50) ENPP1PARP1HEXAHEXBPTGS1

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
US-5834058-A Organometallic complexes of aluminium, gallium and indium THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1998-11-10 — — US disclosed
EP-0712409-B1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM ASS OCTEL (GB) 1998-10-28 — — EP disclosed
EP-0712409-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1996-05-22 — — EP disclosed
WO-1995004063-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 — — WO disclosed
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