SCHEMBL29923723

SCHEMBL29923723

Cc1ccc(C(=O)NNC(=O)c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.70
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 5/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.61
THRB P10828 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
LMNA P02545 1/20 0.56
CSNK2A2 P19784 2/20 0.56
CSNK2B P67870 2/20 0.56
CSNK2A1 P68400 2/20 0.56
CSNK2A3 Q8NEV1 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL28642133 1.00 POLB (0.70) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28645521 0.89 LMNA (0.66) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL29923812 0.89 LMNA (0.66) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28653479 0.87 TDP1 (0.70) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL29923734 0.87 TDP1 (0.70) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL8645195 0.79 LMNA (0.67) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28926782 0.75 KMT2A (0.81) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL29923932 0.75 KMT2A (0.81) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL12536148 0.74 KDM4E (0.72) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL4970562 0.73 MAOB (0.82) POLBKMT2AMEN1NPC1RAB9A

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-113549043-B Flavonoid tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2022-10-14 CN disclosed