SCHEMBL8599093

SCHEMBL8599093

O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.75
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP2C19 P33261 3/20 0.60
CYP3A4 P08684 2/20 0.60
TP53 P04637 2/20 0.60
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
OPRK1 P41145 1/20 0.54
CXCR3 P49682 1/20 0.54

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
SCHEMBL8595628 0.82 MAPT (0.52) MAPTALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL8602363 0.81 PIK3C2B (0.52) MAPTALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL8601859 0.79 DCTPP1 (0.54) MAPTALDH1A1GAASMN1; SMN2CYP2C19
Potassium Ion SCHEMBL20299685 0.78 CYP2C9 (0.69) MAPTALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL4886070 0.78 CYP2C9 (0.77) MAPTALDH1A1CYP2C19CYP3A4TP53
SCHEMBL5422578 0.77 CYP2C9 (0.71) MAPTALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL17824298 0.76 CYP3A4 (0.66) MAPTALDH1A1CYP2C19CYP3A4TP53
SCHEMBL13182216 0.76 KDM4E (0.67) MAPTALDH1A1CYP2C19CYP3A4TP53
SCHEMBL2607592 0.75 TP53 (0.56) MAPTALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL8602071 0.74 MAPT (0.46) MAPTALDH1A1GAASMN1; SMN2TP53

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