SCHEMBL8601415

SCHEMBL8601415

CC(C(=O)O)n1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
TYK2 P29597 1/20 0.39
PTGES O14684 10/20 0.39
LCK P06239 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL8599534 0.91 LMNA (0.41) LMNAITGB1ITGA4TYK2PTGES
SCHEMBL8601960 0.88 LMNA (0.41) LMNAITGB1ITGA4PTGESMEN1
SCHEMBL8599739 0.84 KMT2A (0.41) LMNAPTGESKMT2A
SCHEMBL8596747 0.84 LMNA (0.42) LMNAPTGES
SCHEMBL8598365 0.83 TYK2 (0.44) TYK2PTGESLCKMEN1KMT2A
SCHEMBL8602408 0.81 TP53 (0.39) LMNAITGB1ITGA4TYK2PTGES
SCHEMBL8598941 0.80 TYK2 (0.43) TYK2PTGESLCKMEN1KMT2A
SCHEMBL8597312 0.79 TP53 (0.43) TYK2PTGESLCKMEN1KMT2A
SCHEMBL8598383 0.79 PTGES (0.44) PTGESKMT2A
SCHEMBL8597841 0.79 PTGES (0.37) TYK2PTGES

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