SCHEMBL6507555

SCHEMBL6507555

Nc1ccc(N2CCN(CC=O)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
GFER P55789 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
RAD52 P43351 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC6A9 P48067 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ADRA1B P35368 2/20 0.38
KDM4E B2RXH2 4/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL15653140 0.82 MAPT (0.67) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL17265648 0.82 ALDH1A1 (0.77) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL159281 0.80 MAPT (0.68) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL20591936 0.79 ALDH1A1 (0.48) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL1725003 0.79 ALDH1A1 (0.59) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL27908174 0.78 MAPT (0.58) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL521899 0.78 MAPT (0.55) MAPTALDH1A1GFERTDP1LMNA
SCHEMBL6508996 0.78 ALDH1A1 (0.61) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL3027517 0.78 MAPT (0.57) MAPTALDH1A1GFERTDP1LMNA
Hydrochloric Acid SCHEMBL1726121 0.78 ALDH1A1 (0.57) MAPTALDH1A1GFERTDP1LMNA

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-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed