SCHEMBL8601960

SCHEMBL8601960

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PTGES O14684 15/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8601415 0.88 LMNA (0.46) LMNAPTGESKMT2AMEN1ITGB1
SCHEMBL8599534 0.86 LMNA (0.41) LMNAPTGESKMT2AMEN1ITGB1
SCHEMBL8596747 0.84 LMNA (0.42) LMNAPTGESMAPTALDH1A1
SCHEMBL8599739 0.80 KMT2A (0.41) LMNAPTGESKMT2AALDH1A1
SCHEMBL8602408 0.79 TP53 (0.39) LMNAPTGESKMT2AMEN1ITGB1
SCHEMBL8598365 0.79 TYK2 (0.44) PTGESKMT2AMEN1
SCHEMBL8599899 0.79 TP53 (0.44) PTGESALDH1A1
SCHEMBL8597372 0.78 PTGES (0.45) PTGESKMT2AMEN1
SCHEMBL8598943 0.77 TP53 (0.40) PTGESKMT2AMEN1MAPTALDH1A1
SCHEMBL8598383 0.77 PTGES (0.44) PTGESKMT2AMAPTALDH1A1

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