SCHEMBL9039853

SCHEMBL9039853

O=c1n(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)cnn1CC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ME2 P23368 3/20 0.43
ME1 P48163 3/20 0.43
ME3 Q16798 3/20 0.43
DGAT1 O75907 1/20 0.42
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
DEGS1 O15121 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PPARG P37231 2/20 0.36
PKM P14618 1/20 0.36
DRD4 P21917 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9038616 0.88 MAPT (0.54) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL20639883 0.87 PPARD (0.41) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9118588 0.85 METAP2 (0.42) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9384752 0.84 MAPT (0.58) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665897 0.83 MAPT (0.65) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL7458461 0.81 MAPT (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL9665027 0.81 MAPT (0.62) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL14764336 0.80 MAPT (0.65) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8506763 0.79 MAPT (0.55) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL7834009 0.79 MAPT (0.64) MAPTKDM4ELMNAGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402989-B1 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA NV (BE) 1996-04-03 EP disclosed
US-5075309-A For prevention and treatment of fungal diseases in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-24 US disclosed
EP-0402989-A2 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA N.V. (BE) 1990-12-19 EP disclosed