SCHEMBL7476927

SCHEMBL7476927

O=C1NC(=O)C(NC(=O)c2cccc(Oc3ccccc3)c2)(c2ccccc2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.55
NPC1 O15118 3/20 0.49
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.47
KAT6A Q92794 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RIPK1 Q13546 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FABP1 P07148 1/20 0.44

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
SCHEMBL7480996 0.89 RAB9A (0.56) NPC1SMN1; SMN2RAB9AKAT6AALDH1A1
SCHEMBL7475904 0.87 MEN1 (0.47) NPC1SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL7478227 0.86 ALDH1A1 (0.50) NPC1SMN1; SMN2RAB9AKAT6AALDH1A1
SCHEMBL7482004 0.84 ALDH1A1 (0.46) HDAC8ALDH1A1LMNAMMP2MMP9
SCHEMBL7472363 0.83 L3MBTL1 (0.49) HDAC8SMN1; SMN2RAB9AALDH1A1MMP2
SCHEMBL7472887 0.82 ALDH1A1 (0.48) NPC1SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL7471334 0.82 SMN1; SMN2 (0.52) HDAC8NPC1SMN1; SMN2RAB9AKAT6A
SCHEMBL7482260 0.82 KCNA3 (0.48) NPC1SMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL7646518 0.81 NR1H4 (0.43) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL7483118 0.79 NR1H4 (0.44) HDAC8SMN1; SMN2LMNAMMP9MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US claimed
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