SCHEMBL8670342

SCHEMBL8670342

CC(=O)N1CCN([N+]2(C=C=O)C(C(F)(F)F)=Nc3c(NC(=O)c4c(Cl)cccc4Cl)cccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
CDK14 O94921 8/20 0.35
CCNY Q8ND76 8/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TYK2 P29597 1/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MT-CO2 P00403 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL8597839 0.91 TYK2 (0.36) CDK14CCNYTYK2HSD17B10TSHR
SCHEMBL8598882 0.76 TYK2 (0.44) ALDH1A1MAPTTYK2PTGES
SCHEMBL8596974 0.73 TYK2 (0.38) ALDH1A1MAPTTYK2
Hydrochloric Acid SCHEMBL8600669 0.73 TYK2 (0.38) ALDH1A1MAPTTYK2PTGES
SCHEMBL8670351 0.67 KDM4E (0.33) MAPK8MAPK10CDK14CCNYALDH1A1
SCHEMBL8596742 0.66 PTGES (0.36) CDK14CCNYTYK2TSHRPTGES
SCHEMBL8670583 0.65 TSHR (0.35) CDK14CCNYALDH1A1MAPTHSD17B10
SCHEMBL8670347 0.64 MAPT (0.48) ALDH1A1MAPTKDM4EPTGES
SCHEMBL8670346 0.64 PTGES (0.36) MAPK8MAPK10CDK14CCNYLMNA
Hydrochloric Acid SCHEMBL9081087 0.63 MEN1 (0.39) MAPK8MAPK10CDK14CCNYALDH1A1

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