SCHEMBL8600239

SCHEMBL8600239

CCOC(=O)c1cccc2c1nc(C(F)(F)F)n2COC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.39
CYP1A2 P05177 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDK2 Q15119 1/20 0.38
HSD17B10 Q99714 4/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CDC25B P30305 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL8562791 0.86 PIK3C2B (0.41) KDM4EALDH1A1HPGDMAPTAPEX1
Trifluoroacetic Acid SCHEMBL8603670 0.84 ALDH1A1 (0.43) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8600049 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL8600493 0.83 DCTPP1 (0.44) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8648411 0.83 ALDH1A1 (0.45) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8603673 0.82 ALDH1A1 (0.45) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8602280 0.81 KDM4E (0.41) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8598184 0.81 PPARA (0.46) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL8646317 0.79 TSHR (0.41) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL7485367 0.75 TSHR (0.50) TSHRKDM4EALDH1A1HPGDMAPT

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