SCHEMBL29050602

SCHEMBL29050602

[CH2]C(=O)C(C)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8902371 0.80 SMN1; SMN2 (0.42) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL12979662 0.80 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL3714585 0.80 ALDH1A1 (0.50) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL3718043 0.80 ALDH1A1 (0.50) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL19316681 0.80 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL715038 0.80 ALDH1A1 (0.50) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL2380656 0.80 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL25405355 0.78 ALDH1A1 (0.53) SMN1; SMN2PKMALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL18812867 0.78 ALDH1A1 (0.53) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL2715770 0.78 AAK1 (0.42) SMN1; SMN2PKMALDH1A1MAPTKMT2A

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-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed