SCHEMBL31445960

SCHEMBL31445960

COC(C(=O)O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 1/20 0.46
TBXAS1 P24557 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNA5 P22460 3/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL2410844 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2386085 0.83 MKNK1 (0.54) ALDH1A1
SCHEMBL29852317 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28134029 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10620729 0.81 GAA (0.50) SMN1; SMN2MEN1KMT2AALDH1A1PDE4D
SCHEMBL7611880 0.81 KMT2A (0.49) SMN1; SMN2MEN1KMT2AALDH1A1TBXAS1
SCHEMBL155984 0.79 ALDH1A1 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMAPK1
SCHEMBL103235 0.79 ALDH1A1 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMAPK1
SCHEMBL104518 0.79 ALDH1A1 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMAPK1
SCHEMBL8873323 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed