SCHEMBL5793053

SCHEMBL5793053

O=C(CCc1nc2ccccc2[nH]1)OCC(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
ALDH1A1 P00352 5/20 0.63
CHRM1 P11229 1/20 0.60
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL944969 0.83 MAPT (1.00) MAPTALDH1A1CHRM1KDM4EHSD17B10
SCHEMBL27887747 0.82 MAPT (0.74) MAPTALDH1A1CHRM1KDM4EHSD17B10
SCHEMBL28352297 0.81 MAPT (0.72) MAPTALDH1A1CHRM1KDM4EHSD17B10
SCHEMBL20561440 0.80 MAPT (0.75) MAPTALDH1A1CHRM1KDM4EHSD17B10
SCHEMBL5413290 0.77 MAPT (0.67) MAPTALDH1A1CHRM1KDM4EHSD17B10
Procodazole SCHEMBL349966 0.76 CHRM1 (1.00) MAPTALDH1A1CHRM1KDM4ECYP1A2
Procodazole SCHEMBL838841 0.76 CHRM1 (1.00) MAPTALDH1A1CHRM1KDM4ECYP1A2
Procodazole SCHEMBL29404024 0.76 CHRM1 (1.00) MAPTALDH1A1CHRM1KDM4ECYP1A2
SCHEMBL25475139 0.75 ALDH1A1 (0.65) MAPTALDH1A1CHRM1KDM4EHSD17B10
SCHEMBL19368796 0.75 CHRM1 (0.74) MAPTALDH1A1CHRM1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed