SCHEMBL7479732

SCHEMBL7479732

COc1ccc(NC(=O)NC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
EPHX2 P34913 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
FPR2 P25090 1/20 0.47
HIF1A Q16665 1/20 0.47
PKM P14618 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CASR P41180 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7469234 0.87 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2EPHX2KMT2A
SCHEMBL7480301 0.83 CNR1 (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7482164 0.82 MMP2 (0.49) RAB9ANPC1SMN1; SMN2KMT2ANFKB1
SCHEMBL7481722 0.77 HDAC3 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7483803 0.77 CHRM5 (0.50) RAB9ANPC1TP53POLBALDH1A1
SCHEMBL7481721 0.77 HDAC3 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL11106394 0.74 RAB9A (0.85) RAB9ANPC1SMN1; SMN2EPHX2KMT2A
SCHEMBL7480996 0.74 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7480292 0.73 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7481028 0.72 KMT2A (0.60) RAB9ASMN1; SMN2EPHX2KMT2AMEN1

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
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed