SCHEMBL11832142

SCHEMBL11832142

Cc1cn(CC(=O)O)nc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
AKR1B1 P15121 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11494319 0.82 HTT (0.45) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL17382014 0.82 LMNA (0.41) HTTGAAL3MBTL1ALDH1A1LMNA
SCHEMBL21808338 0.81 EPHX2 (0.57) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL15080872 0.79 CCNC (0.48) L3MBTL1ALDH1A1KDM4E
SCHEMBL23174789 0.77 LMNA (0.43) HTTGAAALDH1A1EPHX2LMNA
SCHEMBL13031176 0.77 HTT (0.38) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL16160355 0.75 L3MBTL1 (0.40) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL3514895 0.75 L3MBTL1 (0.43) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL15156847 0.75 L3MBTL1 (0.49) HTTGAAL3MBTL1ALDH1A1EPHX2
SCHEMBL12121229 0.75 MEN1 (0.44) HTTGAAL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
US-3957480-A HERBICIDES THE UPJOHN COMPANY (US) 1976-05-18 US disclosed