SCHEMBL7489186

SCHEMBL7489186

Cc1nc2cc(O)c(O)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
TLR9 Q9NR96 1/20 0.35
NR1H3 Q13133 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL7475252 0.86 KDM4E (0.38) NR1H2GABRG2GABRB3GABRA5TLR9
SCHEMBL7483264 0.86 KDM4E (0.38) NR1H2GABRG2GABRB3GABRA5CA12
SCHEMBL7478776 0.84 PIK3R1 (0.32) NR1H2GABRG2GABRB3GABRA5TLR9
SCHEMBL7487767 0.84 TLR9 (0.34) NR1H2GABRG2GABRB3GABRA5TLR9
SCHEMBL7480954 0.83 ESR2 (0.41) NR1H2GABRG2GABRB3GABRA5NR1H3
SCHEMBL862090 0.81 PIK3R1 (0.37) NR1H2GABRG2GABRB3GABRA5NR1H3
SCHEMBL30847402 0.79 USP30 (0.39) NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL3756850 0.79 CCNB2 (0.41) NR1H2GABRG2GABRB3GABRA5NR1H3
SCHEMBL12158 0.79 USP30 (0.39) NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL7484622 0.79 BRD4 (0.34) NR1H2GABRG2GABRB3GABRA5NR1H3

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