SCHEMBL3263163

SCHEMBL3263163

COc1cccc(-n2nc(C)cc2OC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LMNA P02545 4/20 0.42
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MEN1 O00255 2/20 0.41
PLK1 P53350 1/20 0.41
TSHR P16473 2/20 0.40
F10 P00742 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
FGFR1 P11362 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3262792 0.83 MAPK1 (0.53) POLBRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11841355 0.79 MAPT (0.53) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL31522199 0.77 SMN1; SMN2 (0.50) LMNARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3262626 0.77 L3MBTL1 (0.42) LMNARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3264523 0.77 GRM1 (0.40) POLBRAB9AALDH1A1KMT2AMEN1
SCHEMBL13495136 0.77 P2RY1 (0.44) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL3263786 0.76 POLB (0.46) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL4055792 0.76 LMNA (0.71) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL3264571 0.75 RAB9A (0.42) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL3387671 0.75 POLB (0.69) POLBLMNASMN1; SMN2MAPTALDH1A1

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