SCHEMBL8601990

SCHEMBL8601990

Cc1ccc2c(nc(C(F)(F)F)n2C(=O)N(C)C)c1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PTGES O14684 5/20 0.39
TYK2 P29597 3/20 0.38
RAB9A P51151 1/20 0.35
PDE4B Q07343 2/20 0.35
LMNA P02545 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
JAK2 O60674 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8600310 0.73 LCK (0.40) RAB9APDK1PDK2PDK3PDK4
SCHEMBL8602077 0.72 ALDH1A1 (0.39) KMT2ASMN1; SMN2
SCHEMBL8598941 0.72 TYK2 (0.43) KMT2APTGESTYK2SMN1; SMN2JAK2
SCHEMBL8596745 0.72 PTGES (0.36) KMT2APTGESTYK2PDE4BPDE4A
SCHEMBL8603464 0.71 HTT (0.44) KMT2APTGESLMNAMAPTMAPK14
SCHEMBL8598381 0.69 ALDH1A1 (0.41) KMT2APTGESLMNAPDK1PDK2
SCHEMBL8597937 0.69 TP53 (0.43) KMT2APTGESTYK2SMN1; SMN2
SCHEMBL8598365 0.68 TYK2 (0.44) KMT2APTGESTYK2PDE4BPDE4A
SCHEMBL8599534 0.68 LMNA (0.41) KMT2APTGESTYK2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8599168 0.68 SLC11A2 (0.38) PTGESTYK2PDE4BLMNAPDE4A

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