SCHEMBL27475340

SCHEMBL27475340

COC(=O)C(C)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(C)c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
NOTUM Q6P988 1/20 0.35
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
CASR P41180 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
BDKRB2 P30411 7/20 0.34

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
SCHEMBL27472733 0.96 KMT2A (0.35) KMT2AMEN1NOTUMGAACASR
SCHEMBL8030122 0.95 KMT2A (0.36) KMT2AMEN1NOTUMHPGDGAA
SCHEMBL27474932 0.94 KMT2A (0.35) KMT2AMEN1NOTUMHPGDGAA
SCHEMBL27486983 0.92 ALDH1A1 (0.39) KMT2AMEN1GAACASRMAPK1
SCHEMBL27550900 0.91 KMT2A (0.35) KMT2AMEN1GAACASRMAPK1
SCHEMBL27473602 0.91 BDKRB2 (0.36) KMT2AMEN1GAACASRMAPK1
SCHEMBL8030356 0.91 NOTUM (0.36) KMT2AMEN1NOTUMGAACASR
SCHEMBL27488060 0.89 CASR (0.40) KMT2AMEN1GAACASRMAPK1
SCHEMBL27508822 0.89 CASR (0.43) KMT2ACASRMAPK1NTSR1HTT
SCHEMBL27474438 0.89 ALDH1A1 (0.36) KMT2AMEN1GAACASRMAPK1

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-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed