SCHEMBL18888470

SCHEMBL18888470

CC(C)c1ccc2[nH]c(CC(C)(C)c3ccno3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MLKL Q8NB16 1/20 0.32
▸ ALPL P05186 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ ALPG P10696 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20644584 0.80 MAPT (0.38) SCN10AMAPTKDM4EMLKLALPL
SCHEMBL20644535 0.79 CACNA1H (0.40) SCN10AMAPTKDM4EMLKLALPL
SCHEMBL10299138 0.72 DDAH1 (0.54) SCN10AMAPTKDM4EMLKLALPL
SCHEMBL24027323 0.71 PKM (0.39) SCN10AMAPTKDM4EMLKLALPL
SCHEMBL24027318 0.71 SMN1; SMN2 (0.36) SCN10AMAPTKDM4EMLKLKMT2A
SCHEMBL889358 0.68 HSD17B10 (0.59) SCN10AKDM4EMLKLNPC1ALDH1A1
SCHEMBL5988285 0.67 SMN1; SMN2 (0.43) SCN10AMAPTKDM4EMLKLKMT2A
SCHEMBL19558098 0.66 ALPL (0.49) MAPTKDM4EMLKLALPLMAPK1
SCHEMBL20644416 0.66 NPSR1 (0.53) SCN10AMAPTKDM4EMLKLKMT2A
SCHEMBL23479351 0.65 SCN10A (0.40) SCN10AMAPTKDM4EKMT2AMEN1

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
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
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