SCHEMBL6532434

SCHEMBL6532434

O=C(C(O)CO)N1CCN(c2c(F)cc(-n3cc(CN4C(=O)c5ccccc5C4=O)nn3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.38
RBP4 P02753 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
HSD17B10 Q99714 3/20 0.35
PTGS2 P35354 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6532784 0.90 RBP4 (0.41) TYRRBP4PTGS2ALOX15HTT
SCHEMBL6532725 0.85 TYR (0.39) TYRMEN1GAAKMT2ASMN1; SMN2
SCHEMBL6534106 0.82 KDM1A (0.44)
SCHEMBL6530629 0.78 TYR (0.34) TYRMEN1GAAKMT2ASMN1; SMN2
SCHEMBL6527906 0.78 MIF (0.38) RBP4
SCHEMBL6530869 0.78 MIF (0.38) RBP4
SCHEMBL6533967 0.74 ADRA1D (0.42) TYRPTGS2ALOX15HTTL3MBTL1
SCHEMBL6529845 0.72 GPR119 (0.46) PTGS2
SCHEMBL6532436 0.71 RBP4 (0.37) RBP4GAAKMT2AHTT
SCHEMBL5623713 0.69 ALDH1A1 (0.45) TYRSMN1; SMN2HSD17B10ALOX15

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