SCHEMBL3264571

SCHEMBL3264571

COc1cccc(-n2nc(C)c(I)c2OC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 3/20 0.42
S1PR4 O95977 2/20 0.42
HPGD P15428 2/20 0.42
S1PR1 P21453 2/20 0.42
MEN1 O00255 2/20 0.42
PLK1 P53350 1/20 0.42
MPO P05164 1/20 0.41
FGFR1 P11362 1/20 0.41
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3262218 0.84 NPSR1 (0.49) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3261819 0.80 KMT2A (0.44) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3264256 0.76 GAA (0.41) RAB9ASMN1; SMN2KMT2ALMNAMAPT
SCHEMBL3263163 0.75 POLB (0.46) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3262626 0.75 L3MBTL1 (0.42) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4213757 0.69 ALDH1A1 (0.64) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4208305 0.69 NPSR1 (0.51) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4054606 0.69 LMNA (0.48) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL23558009 0.68 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1803890 0.68 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed