SCHEMBL3391844

SCHEMBL3391844

Cc1c(-c2cccc[n+]2[O-])c(OC(C)C)nn1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCC1 P33527 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
SCHEMBL13495101 0.85 DHODH (0.33) DHODH
SCHEMBL3391830 0.85 DHODH (0.38) DHODHKMT2AL3MBTL1ABCB1ABCC1
SCHEMBL3259325 0.77 MAPT (0.42) DHODHKMT2A
SCHEMBL3263059 0.73 TRPM8 (0.46) KMT2AL3MBTL1
SCHEMBL13495117 0.69 DHODH (0.38) DHODHKMT2A
SCHEMBL3262693 0.69 ATM (0.42) KMT2A
SCHEMBL3262520 0.67 MAPT (0.48)
SCHEMBL21494398 0.64 KMT2A (0.41) KMT2AL3MBTL1ABCB1ABCC1
SCHEMBL29558738 0.63 KMT2A (0.41) KMT2AL3MBTL1
SCHEMBL3387939 0.62 SLC5A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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