SCHEMBL9458174

SCHEMBL9458174

Cc1nc(NCC(=O)O)sc1Cc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGS2 P35354 2/20 0.41
COPS5 Q92905 2/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 4/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PI4KB Q9UBF8 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AOC3 Q16853 1/20 0.37
PPARA Q07869 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
SCHEMBL9458070 0.83 AOC3 (0.45) PTGS2COPS5AOC3
SCHEMBL9457588 0.83 RAB9A (0.47) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL9457501 0.73 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2ACOPS5RAB9A
SCHEMBL9710578 0.69 COPS5 (0.38) LMNAHPGDMEN1KMT2ACOPS5
SCHEMBL31635693 0.68 LMNA (0.50) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL9457392 0.68 PLTP (0.42) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL8977465 0.68 NPC1 (0.54) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL24952924 0.68 XIAP (0.56) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL4875662 0.65 AOC3 (0.76) AOC3
SCHEMBL9458112 0.65 AOC3 (0.58) AOC3

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
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed