SCHEMBL3261571

SCHEMBL3261571

Cc1cc(OC(C)C)nn1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK1 Q13546 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 11/20 0.36
KHK P50053 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3265119 0.85 NPSR1 (0.47) ALDH1A1L3MBTL1RIPK1SIGMAR1NPSR1
SCHEMBL3386827 0.84 POLB (0.46) ALDH1A1L3MBTL1RIPK1MAPTHPGD
SCHEMBL3260375 0.82 GRM1 (0.40) ALDH1A1L3MBTL1
SCHEMBL19068631 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1RIPK1MAPTHPGD
SCHEMBL3262626 0.76 L3MBTL1 (0.42) ALDH1A1L3MBTL1MAPTHPGDNPSR1
SCHEMBL3263786 0.74 POLB (0.46) ALDH1A1L3MBTL1MAPTHPGDNPSR1
SCHEMBL15825247 0.74 RIPK1 (0.40) ALDH1A1L3MBTL1RIPK1MAPTHPGD
SCHEMBL3261172 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL3325578 0.73 MAPT (0.54) ALDH1A1L3MBTL1MAPTHPGDNPSR1
SCHEMBL3261554 0.70 BAZ2B (0.35) ALDH1A1MAPTHPGD

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