SCHEMBL28926427

SCHEMBL28926427

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCN

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.82
▸ MEN1 O00255 3/20 0.82
▸ HCRTR1 O43613 1/20 0.82
▸ NPBWR1 P48145 1/20 0.67
▸ MCHR1 Q99705 1/20 0.67
▸ MAPT P10636 2/20 0.62
▸ TP53 P04637 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TACR1 P25103 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NMBR P28336 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ BMP1 P13497 1/20 0.55

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
SCHEMBL28926425 1.00 KMT2A (0.82) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL10942408 0.96 KMT2A (0.79) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL19051477 0.89 KMT2A (0.82) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL21001594 0.89 KMT2A (0.81) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL21001595 0.89 KMT2A (0.81) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL31520097 0.89 KMT2A (0.81) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL21001391 0.88 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL21001325 0.88 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL16621132 0.88 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL21001156 0.88 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1

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-115385846-A Indole compound, preparation method and application thereof 复旦大学 2022-11-25 — — CN disclosed
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