SCHEMBL7478263

SCHEMBL7478263

COC(=O)c1c(C(=O)OC(C)(C)C)cc2nc(C)[nH]c2c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.32
ACHE P22303 1/20 0.32
NR3C2 P08235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.31
NGFR P08138 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
SCHEMBL7478259 0.81 DHODH (0.38) NPSR1
SCHEMBL6583295 0.73 KCNH2 (0.35) NR3C2MAPT
SCHEMBL6585164 0.71 HSP90AA1 (0.36) ALDH1A1LMNANPSR1KDM4ETDP1
SCHEMBL7421985 0.71 KDM4E (0.41) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6583253 0.71 GABRA1 (0.30)
SCHEMBL8953027 0.68 KDM4E (0.41) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL28724583 0.67 MAPT (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL29495197 0.67 MAPT (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL13601846 0.67 NQO2 (0.40) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6170453 0.66 KDM4E (0.45) MEN1KMT2AALDH1A1LMNAKDM4E

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-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed