SCHEMBL8599284

SCHEMBL8599284

O=C(O)c1cccc2c1nc(C(F)(F)F)n2CCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APEX1 P27695 1/20 0.41
PIK3C2B O00750 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
NTRK1 P04629 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8598184 0.87 PPARA (0.46) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8562791 0.79 PIK3C2B (0.41) KDM4EALDH1A1MAPTLMNAAPEX1
SCHEMBL8600004 0.77 PIK3C2B (0.45) KDM4EPIK3C2BCYP1A2CYP2D6CYP2C9
SCHEMBL8598178 0.77 CYP2C9 (0.47) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL8601846 0.76 PPARG (0.48) KDM4EALDH1A1MAPTTP53PIK3C2B
SCHEMBL8597750 0.74 DCTPP1 (0.48) KDM4EPIK3C2BCYP1A2CYP2D6CYP2C9
SCHEMBL8646317 0.73 TSHR (0.41) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL8602363 0.70 PIK3C2B (0.52) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL1587303 0.67 MAPT (0.60) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL8602280 0.66 KDM4E (0.41) KDM4EALDH1A1MAPTTP53SMN1; SMN2

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