SCHEMBL23978582

SCHEMBL23978582

CN1C(=O)CC(NC(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1632089 0.78 POLB (0.30) POLB
SCHEMBL14463511 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL5237110 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL25735070 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5240143 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL12994836 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL16378120 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL23894828 0.74 CYP1A2 (0.43) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL13317748 0.72 KMT2A (0.53) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9906480 0.72 GAA (0.50) ALDH1A1KDM4EGAAMAPTSMN1; SMN2

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-2021222777-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS MAGNANI JOHN L (US) 2021-11-04 WO disclosed