SCHEMBL28030674

SCHEMBL28030674

NC(=O)Cc1csc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
MPI P34949 1/20 0.53
RECQL P46063 1/20 0.53
MCL1 Q07820 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.48
AR P10275 5/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3823764 0.87 LMNA (0.55) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL17115622 0.86 LMNA (0.55) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL15709871 0.82 KDM4E (0.57) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL7187027 0.80 MAPT (0.56) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL1493576 0.80 MAPT (0.56) MAPTLMNAMAPK1ARNPC1
SCHEMBL8183054 0.80 LMNA (0.53) MAPTKDM4EALDH1A1POLBMPI
Hydrochloric Acid SCHEMBL5008552 0.79 MAPT (0.54) MAPTLMNAMAPK1ARNPC1
SCHEMBL1436135 0.77 MAPT (0.59) MAPTLMNAMAPK1ARNPC1
SCHEMBL15349288 0.77 MAPT (0.56) MAPTLMNAMAPK1ARNPC1
SCHEMBL18674655 0.77 LMNA (0.58) MAPTGAAALDH1A1LMNAMAPK1

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-104936954-A compounds and methods of use thereof AGIOS PHARMACEUTICALS INC 2015-09-23 CN disclosed