SCHEMBL8596409

SCHEMBL8596409

CCOC(=O)CN(C(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)OCC)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 6/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
LMNA P02545 3/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PIK3C2B O00750 1/20 0.38
GSR P00390 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 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
SCHEMBL8601221 0.81 HPGD (0.46) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
SCHEMBL8648411 0.73 ALDH1A1 (0.45) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
SCHEMBL8602599 0.72 PIK3C2B (0.40) CYP2C9CYP1A2ALDH1A1APEX1CYP2C19
SCHEMBL8603673 0.72 ALDH1A1 (0.45) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
Trifluoroacetic Acid SCHEMBL8603670 0.72 ALDH1A1 (0.43) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
SCHEMBL8600239 0.69 TSHR (0.41) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
SCHEMBL8599899 0.68 TP53 (0.44) HSD17B10HPGDCYP2C9CYP1A2ALDH1A1
SCHEMBL8600493 0.68 DCTPP1 (0.44) HSD17B10HPGDALDH1A1KDM4ETSHR
SCHEMBL9483999 0.67 THRB (0.44) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL11760442 0.67 TP53 (0.47) ALDH1A1LMNAKMT2AMAPTMEN1

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