SCHEMBL17844726

SCHEMBL17844726

CC(=Cc1ncc[nH]1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 6/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CSNK1A1 P48729 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL6575887 0.84 AKR1C3 (0.41) TLK2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13835304 0.77 CA1 (0.35) TLK2NPC1RAB9ACA1CA2
SCHEMBL20307667 0.77
SCHEMBL7504578 0.76 CES2 (0.42) TLK2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7504582 0.76 CES2 (0.42) TLK2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4057360 0.75
SCHEMBL10670137 0.74 ALDH1A1 (0.37) TLK2NPC1RAB9ACA1CA2
SCHEMBL12313017 0.73 TLK2 (0.34) TLK2NPC1RAB9ACA1CA2
SCHEMBL9112925 0.73
SCHEMBL9112918 0.73

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
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed