SCHEMBL8595161

SCHEMBL8595161

CC(C)(C)OC(=O)Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
APEX1 P27695 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TYK2 P29597 1/20 0.37

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
SCHEMBL8601785 0.90 TP53 (0.48) PTGESTP53ALDH1A1CYP2C9APEX1
SCHEMBL8597238 0.88 MMP2 (0.42) PTGESTP53ALDH1A1LMNA
SCHEMBL8597440 0.87 KDM4E (0.40) PTGESALDH1A1LMNAMAPTKDM4E
SCHEMBL8596165 0.87 TP53 (0.45) PTGESTP53CYP2C9CYP1A2CYP2C19
SCHEMBL8599169 0.87 PIK3CD (0.39) PTGESALDH1A1KDM4E
SCHEMBL8597312 0.86 TP53 (0.43) PTGESTP53CYP2C9CYP1A2CYP2C19
SCHEMBL8601161 0.85 TP53 (0.46) PTGESTP53ALDH1A1CYP2C9APEX1
SCHEMBL8597937 0.85 TP53 (0.43) PTGESTP53TYK2
SCHEMBL8597372 0.84 PTGES (0.45) PTGESTP53TYK2
SCHEMBL8596861 0.84 TP53 (0.40) PTGESTP53TYK2

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed