SCHEMBL8600307

SCHEMBL8600307

N#CCNC(=O)Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.38
PTGES O14684 13/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL8596981 0.88 TP53 (0.44) TP53HTTL3MBTL1MMP2PTGES
SCHEMBL8597757 0.87 L3MBTL1 (0.46) TP53HTTL3MBTL1MMP2PTGES
SCHEMBL8598838 0.87 TP53 (0.43) TP53HTTL3MBTL1MMP2PTGES
SCHEMBL8598251 0.87 TYK2 (0.39) TP53HTTPTGESSMN1; SMN2TYK2
SCHEMBL8596007 0.86 TP53 (0.51) TP53HTTL3MBTL1ALDH1A1GAA
SCHEMBL8596165 0.86 TP53 (0.45) TP53HTTMMP2PTGESSMN1; SMN2
SCHEMBL8601161 0.85 TP53 (0.46) TP53HTTL3MBTL1MMP2PTGES
SCHEMBL8599899 0.85 TP53 (0.44) TP53HTTL3MBTL1MMP2PTGES
Hydrochloric Acid SCHEMBL8602410 0.85 TP53 (0.45) TP53HTTL3MBTL1MMP2PTGES
SCHEMBL8597312 0.85 TP53 (0.43) TP53HTTL3MBTL1MMP2PTGES

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