SCHEMBL27609804

SCHEMBL27609804

Nc1onc(-c2nccs2)c1C(=O)NCCc1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 2/20 0.44
USP25 Q9UHP3 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
ACMSD Q8TDX5 1/20 0.41
MYC P01106 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC2 Q92769 2/20 0.38
FAAH O00519 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL27609879 0.83 MAPK1 (0.46) USP28USP25KDM4EKDM5AKDM5C
SCHEMBL27609866 0.82 USP28 (0.45) USP28USP25KDM4EKDM5AKDM5C
SCHEMBL6316706 0.81 GAA (0.46) KDM4ESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28750979 0.80 MEN1 (0.48) USP28USP25KDM4EKDM5AKDM5C
SCHEMBL27591452 0.74 NPC1 (0.55) USP28USP25MYCSMN1; SMN2NPC1
SCHEMBL6322686 0.73 CA1 (0.53) SMN1; SMN2NPC1RAB9AHDAC2MEN1
SCHEMBL6315993 0.73 ECE1 (0.41) RAB9AHDAC2GAAHDAC3HDAC4
SCHEMBL6318335 0.73 NPC1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1FAAH
SCHEMBL6317256 0.72 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27591690 0.71 KDM4E (0.42) KDM4ERAB9AL3MBTL1KMT2AGAA

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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed