SCHEMBL22647176

SCHEMBL22647176

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c(=O)c(O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
HCRTR1 O43613 1/20 0.60
MAPT P10636 3/20 0.59
ALDH1A1 P00352 1/20 0.59
THRB P10828 1/20 0.59
HPGD P15428 1/20 0.59
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TACR1 P25103 3/20 0.55
ITGB2 P05107 2/20 0.54
ICAM1 P05362 2/20 0.54
ITGAL P20701 2/20 0.54

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
SCHEMBL27703075 0.83 KMT2A (0.71) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL22292158 0.82 KMT2A (0.64) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL15145423 0.82 KMT2A (0.64) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL20356918 0.82 KMT2A (0.64) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL18620488 0.82 KMT2A (0.64) KMT2AMEN1HCRTR1MAPTNPBWR1
SCHEMBL15145352 0.81 ITGB2 (0.67) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL15145422 0.81 KMT2A (0.66) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL22647177 0.81 ALDH1A1 (0.57) ALDH1A1THRB
SCHEMBL15145383 0.81 KMT2A (0.66) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL15145386 0.80 KMT2A (0.65) KMT2AMEN1HCRTR1MAPTALDH1A1

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
WO-2020227180-A1 SULFUR AND AMIDE TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2020-11-12 WO disclosed