SCHEMBL8599739

SCHEMBL8599739

CC(C(=O)N1CCOCC1)n1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PTGES O14684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
PIK3C2B O00750 1/20 0.37
WDR5 P61964 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
BTK Q06187 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
SCHEMBL8670592 0.90 KMT2A (0.38) KMT2APTGESKDM4ETSHRHSD17B10
SCHEMBL8601415 0.84 LMNA (0.46) KMT2APTGESLMNA
SCHEMBL8599534 0.83 LMNA (0.41) KMT2APTGESLMNASMN1; SMN2
SCHEMBL13990316 0.81 IRAK4 (0.49) ALDH1A1SMN1; SMN2IRAK4PIK3C2B
SCHEMBL8601960 0.80 LMNA (0.41) KMT2APTGESLMNAALDH1A1
SCHEMBL8600023 0.79 ALDH1A1 (0.41) KMT2APTGESKDM4ETSHRCNR1
SCHEMBL8597477 0.79 ALDH1A1 (0.46) PTGESKDM4ETSHRCNR2HSD17B10
SCHEMBL8596747 0.78 LMNA (0.42) PTGESKDM4ELMNAALDH1A1NPSR1
SCHEMBL8598383 0.78 PTGES (0.44) KMT2APTGESKDM4ETSHRHSD17B10
SCHEMBL8670346 0.76 PTGES (0.36) PTGESLMNA

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