SCHEMBL11276514

SCHEMBL11276514

COC(=O)C(C=O)C(=O)C(N)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
KCNA5 P22460 4/20 0.39
POLB P06746 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TBXAS1 P24557 1/20 0.36
PDE4D Q08499 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
SCHEMBL11282166 0.83 KMT2A (0.54) ALDH1A1KMT2AHSD17B10LMNA
SCHEMBL5216927 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EGAAKCNA5
SCHEMBL30430689 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EGAAKCNA5
Hydrochloric Acid SCHEMBL15270291 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EGAAKCNA5
SCHEMBL11487828 0.78 SMN1; SMN2 (0.50) ALDH1A1GAAKCNA5POLBCYP17A1
SCHEMBL6776942 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EGAAKCNA5
SCHEMBL11276726 0.74 HPGDS (0.34) ALDH1A1KMT2AKDM4EGAA
SCHEMBL9313982 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EGAAKCNA5
SCHEMBL28520217 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EGAAKCNA5
SCHEMBL5966871 0.73 RAB9A (0.43) ALDH1A1KCNA5POLBCYP17A1CYP19A1

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-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed