SCHEMBL31290115

SCHEMBL31290115

O=C1C=C(N2CCCCC2)C(=O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 4/20 0.77
TDP2 O95551 2/20 0.77
NSD2 O96028 2/20 0.77
HKDC1 Q2TB90 2/20 0.77
DNMT1 P26358 1/20 0.62
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 2/20 0.54
GALK1 P51570 1/20 0.54
NOD2 Q9HC29 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49

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
SCHEMBL249168 1.00 APAF1 (0.77) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL4876610 0.98 APAF1 (0.74) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL31290245 0.98 APAF1 (0.74) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL7260223 0.87 APAF1 (1.00) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL14566964 0.83 APAF1 (0.59) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL246623 0.82 DNMT1 (0.59) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL17249923 0.82 DNMT1 (0.64) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL247037 0.82 KMT2A (0.79) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL29203715 0.81 APAF1 (0.62) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL1242685 0.76 MAPT (0.67) APAF1TDP2NSD2HKDC1DNMT1

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-118932351-A Electrochemical tandem preparation and application of antibacterial compound 2-amino quinone 温州医科大学附属口腔医院 2024-11-12 CN disclosed