SCHEMBL7478776

SCHEMBL7478776

Cc1nc2cc(O[Si](C)(C)C(C)(C)C)c(O)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
TLR9 Q9NR96 1/20 0.32
NR1H2 P55055 5/20 0.31
NR1H3 Q13133 2/20 0.31
BRD4 O60885 4/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL7487767 0.95 TLR9 (0.34) PIK3R1PIK3CATLR9NR1H2NR1H3
SCHEMBL7484622 0.92 BRD4 (0.34) PIK3R1PIK3CANR1H2NR1H3BRD4
SCHEMBL7489186 0.84 NR1H2 (0.36) TLR9NR1H2NR1H3BRD4GABRG2
SCHEMBL7477789 0.79 PDE4D (0.43)
SCHEMBL7485838 0.79 PDE4D (0.43)
SCHEMBL7483264 0.76 KDM4E (0.38) NR1H2BRD4GABRG2GABRB3GABRA5
SCHEMBL862090 0.74 PIK3R1 (0.37) PIK3R1PIK3CANR1H2NR1H3GABRG2
SCHEMBL7475252 0.74 KDM4E (0.38) TLR9NR1H2BRD4GABRG2GABRB3
SCHEMBL7480954 0.74 ESR2 (0.41) NR1H2NR1H3BRD4GABRG2GABRB3
SCHEMBL30847402 0.73 USP30 (0.39) PIK3R1PIK3CANR1H2NR1H3

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-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed