SCHEMBL27473602

SCHEMBL27473602

COC(=O)C(C)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
GAA P10253 1/20 0.35
CASR P41180 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 2/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOD2 Q9HC29 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL27550900 0.96 KMT2A (0.35) BDKRB2KMT2AMEN1GAACASR
SCHEMBL8031966 0.95 BDKRB2 (0.37) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27473600 0.94 BDKRB2 (0.35) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27472733 0.93 KMT2A (0.35) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27508822 0.92 CASR (0.43) BDKRB2KMT2ACASRNPSR1MAPK1
SCHEMBL27474438 0.92 ALDH1A1 (0.36) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27486983 0.92 ALDH1A1 (0.39) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27475340 0.91 KMT2A (0.37) BDKRB2KMT2AMEN1GAACASR
SCHEMBL27488060 0.91 CASR (0.40) BDKRB2KMT2AMEN1GAACASR
SCHEMBL8030238 0.90 RORC (0.36) BDKRB2KMT2AMEN1GAACASR

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