SCHEMBL28987151

SCHEMBL28987151

O=C1C(Cl)=C(Cl)C(=O)c2nc(-c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.47
S100A4 P26447 2/20 0.47
IDO1 P14902 1/20 0.45
DNMT1 P26358 1/20 0.45
DNMT3L Q9UJW3 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
AGTR1 P30556 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.37

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
SCHEMBL31460555 0.83 RAB9A (0.48) MEN1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4049450 0.79 RAB9A (0.54) S100A4MEN1RAB9AKMT2AALDH1A1
SCHEMBL31337073 0.75 MAOB (0.42) MEN1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL21801729 0.74 AURKA (0.50) CDC25BDNMT1MEN1RAB9AKMT2A
SCHEMBL21801759 0.74 NSD2 (0.46) DNMT1MEN1RAB9AKMT2AALDH1A1
SCHEMBL31402361 0.73 GAA (0.61) CDC25BS100A4IDO1MEN1RAB9A
SCHEMBL21801708 0.72 PADI1 (0.68) S100A4MEN1RAB9AKMT2AALDH1A1
SCHEMBL21801784 0.72 PADI1 (0.46) CDC25BMEN1RAB9AKMT2AALDH1A1
SCHEMBL21801789 0.72 NSD2 (0.65) CDC25BDNMT1MEN1RAB9AKMT2A
SCHEMBL10473024 0.71 RAB9A (0.43) MEN1RAB9AKMT2AALDH1A1SMN1; SMN2

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-116003423-A Method for synthesizing spiro compound by photocatalysis 广西大学 2023-04-25 CN disclosed