SCHEMBL22153134

SCHEMBL22153134

O=C(O)C(CN1C(=O)C=C(Sc2ccccc2)C1=O)N1C(=O)C=C(Sc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DNMT1 P26358 6/20 0.37
AADAT Q8N5Z0 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22153148 0.84 HPGD (0.37) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL22153166 0.84 HPGD (0.37) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL29333155 0.82 ALDH1A1 (0.33) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL22153137 0.76 RGS4 (0.31)
SCHEMBL22153693 0.73 RGS4 (0.39) ALDH1A1CYP2D6MAPK1KMT2A
SCHEMBL22152325 0.71 RGS4 (0.44) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL29332922 0.70 RGS4 (0.36) ALDH1A1GAACYP2D6HPGDNFKB1
SCHEMBL22153136 0.67 ALDH1A1 (0.36) ALDH1A1POLBKDM4EHPGDAPEX1
SCHEMBL22153150 0.65 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2A
SCHEMBL22152338 0.64 NSD2 (0.47) ALDH1A1GAAPOLBKDM4EHPGD

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-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed