SCHEMBL17156128

SCHEMBL17156128

Cc1[nH]nc(OC(C)C)c1Oc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LTA4H P09960 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GPR55 Q9Y2T6 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ ALK Q9UM73 2/20 0.35

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
SCHEMBL17156197 0.77 ENPP3 (0.41) LRRK2LMNAMEN1MAPTKMT2A
SCHEMBL17156195 0.76 DHODH (0.43) LRRK2LMNAMEN1MAPTKMT2A
SCHEMBL3263313 0.75 ALK (0.47) LRRK2LMNATDP1ALKALDH1A1
SCHEMBL17156261 0.73 DHODH (0.46) LRRK2TDP1KDM4EENPP3ALPL
SCHEMBL4946642 0.72 CHRNB2 (0.51) LMNATDP1MEN1KMT2AHTT
SCHEMBL29854164 0.72 CHRNB2 (0.51) LMNATDP1MEN1KMT2AHTT
SCHEMBL17156216 0.71 TTR (0.42) LRRK2LMNAMEN1MAPTKMT2A
SCHEMBL17156120 0.69 TRPA1 (0.40) LRRK2LMNAMEN1MAPTKMT2A
SCHEMBL30163333 0.68 LMNA (0.60) LMNATDP1LTA4HHTTKDM4E
SCHEMBL17156393 0.67 LPAR2 (0.46) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2929883-A1 Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors INSTITUT PASTEUR (FR) 2015-10-14 — — EP disclosed
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