SCHEMBL28224850

SCHEMBL28224850

COC(=O)/C=C/c1ccccc1N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NFE2L2 Q16236 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL5539880 0.84 MAPT (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5539874 0.84 MAPT (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL12624624 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10438847 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL69522 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15555762 0.80 MAPT (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2689049 0.80 IP6K1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2689048 0.80 IP6K1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15555761 0.80 MAPT (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL15554506 0.80 NFE2L2 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118851964-A Synthesis method of thiomethylation alkynyl imine compound 徐州工程学院 2024-10-29 CN claimed
CN-108358831-A A kind of polysubstituted carbazole derivates and preparation method thereof 山东师范大学 2018-08-03 CN claimed
CN-108358831-A A kind of polysubstituted carbazole derivates and preparation method thereof 山东师范大学 2018-08-03 CN disclosed