SCHEMBL8670346

SCHEMBL8670346

CC(=O)N1CCN(C(C=O)n2c(C(F)(F)F)nc3c(NC(=O)c4c(Cl)cccc4Cl)cccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
CDK14 O94921 3/20 0.35
CCNY Q8ND76 3/20 0.35
LMNA P02545 2/20 0.34
MT-CO2 P00403 1/20 0.34
TYK2 P29597 1/20 0.33
MAPT P10636 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
P2RX7 Q99572 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
SCHEMBL8597841 0.91 PTGES (0.37) PTGESCDK14CCNYTYK2P2RX7
SCHEMBL8599534 0.80 LMNA (0.41) PTGESLMNATYK2
SCHEMBL8670347 0.79 MAPT (0.48) PTGESMAPTAURKAAURKB
SCHEMBL8601415 0.78 LMNA (0.46) PTGESLMNATYK2
SCHEMBL8598883 0.77 TYK2 (0.44) PTGESLMNATYK2P2RX7
SCHEMBL8599739 0.76 KMT2A (0.41) PTGESLMNA
SCHEMBL8598365 0.75 TYK2 (0.44) PTGESTYK2
SCHEMBL8596975 0.75 TYK2 (0.38) PTGESTYK2MAPTP2RX7
SCHEMBL8597242 0.74 LMNA (0.37) PTGESLMNATYK2
Hydrochloric Acid SCHEMBL8600673 0.74 TYK2 (0.38) PTGESTYK2MAPTP2RX7

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