SCHEMBL29923932

SCHEMBL29923932

CC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.81
MEN1 O00255 5/20 0.81
MAPT P10636 5/20 0.81
POLB P06746 3/20 0.81
RXFP1 Q9HBX9 1/20 0.80
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
HTT P42858 1/20 0.77
MAOA P21397 2/20 0.74
MAOB P27338 2/20 0.74
ALDH1A1 P00352 2/20 0.69
DUSP3 P51452 1/20 0.61
PTPN11 Q06124 1/20 0.61
LMNA P02545 1/20 0.61
RECQL P46063 1/20 0.59

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
SCHEMBL28926782 1.00 KMT2A (0.81) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL4970562 0.86 MAOB (0.82) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL4971130 0.85 MAOB (1.00) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL12501713 0.84 KMT2A (0.78) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL5826076 0.84 KMT2A (0.75) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL8647533 0.81 KMT2A (0.70) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL4970371 0.81 MAOB (1.00) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL28639941 0.80 KMT2A (0.69) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL29923968 0.80 KMT2A (0.69) KMT2AMEN1MAPTPOLBRXFP1
SCHEMBL8642632 0.80 MAOA (0.71) KMT2AMEN1MAPTPOLBRXFP1

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