SCHEMBL3261819

SCHEMBL3261819

COc1cccc(-n2nc(OC(C)C)c(I)c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.40
FGFR1 P11362 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
S1PR4 O95977 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMO Q99835 1/20 0.37
NPBWR1 P48145 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
SCHEMBL3261663 0.83 NPSR1 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL3264571 0.80 RAB9A (0.42) KMT2ASMN1; SMN2MEN1PLK1ALDH1A1
SCHEMBL3260654 0.78 MAPT (0.50) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3264376 0.75 CYP1A2 (0.40) KMT2ASMN1; SMN2MEN1LMNAATM
SCHEMBL3390240 0.75 PLK1 (0.39) PLK1ALDH1A1MAPTHTTHPGD
SCHEMBL3263163 0.74 POLB (0.46) KMT2ASMN1; SMN2MEN1PLK1ALDH1A1
SCHEMBL3262626 0.74 L3MBTL1 (0.42) KMT2ASMN1; SMN2MEN1PLK1ALDH1A1
SCHEMBL23558009 0.70 SMN1; SMN2 (0.65) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL16872784 0.70 KMT2A (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL27938726 0.70 KMT2A (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA

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