SCHEMBL28100145

SCHEMBL28100145

NC(N)CC(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL16132736 0.81 ALDH1A1 (0.39) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL557952 0.78 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL269178 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL2581743 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL17104477 0.76 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28390950 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL16862478 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28991876 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL9809890 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL22203032 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029083-B Hydrophilic antibody-drug conjugates 西雅图基因公司 2020-02-07 CN claimed
CN-106029083-A Hydrophilic antibody-drug conjugates 西雅图基因公司 2016-10-12 CN claimed