SCHEMBL30345008

SCHEMBL30345008

C=CCC1C(=O)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
POLB P06746 3/20 0.41
ALDH2 P05091 1/20 0.41
CHRM1 P11229 1/20 0.41
CES1 P23141 1/20 0.41
ALDH3A1 P30838 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL30345075 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBCES2
SCHEMBL30345007 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1POLBCES2
SCHEMBL30345114 0.80 CDC25A (0.45) ALDH1A1KMT2AMEN1CES2CDC25A
SCHEMBL29385257 0.79 MEN1 (0.61) EP300ALDH1A1KMT2AMEN1CACNA1G
SCHEMBL7499535 0.78 ALDH1A1 (0.44) EP300ALDH1A1KMT2AMEN1F2
SCHEMBL30345051 0.78 CDC25A (0.58) ALDH1A1KMT2AMEN1ALDH2CES1
SCHEMBL28618790 0.76 CACNA1G (0.43) EP300ALDH1A1KMT2AMEN1CACNA1G
SCHEMBL28615591 0.76 CACNA1G (0.43) EP300ALDH1A1KMT2AMEN1CACNA1G
SCHEMBL30345054 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBCES2
SCHEMBL23803182 0.75 CES2 (0.41) ALDH1A1KMT2AELANEPOLBGSK3B

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
CN-115925609-A Preparation method of 3-alkenyloxindole derivative 洛阳师范学院 2023-04-07 CN disclosed