SCHEMBL7480996

SCHEMBL7480996

COc1cccc(C(=O)NC2(c3ccccc3)C(=O)NC(=O)NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
FAAH O00519 1/20 0.53
CNR2 P34972 1/20 0.53
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 3/20 0.48
KAT6A Q92794 1/20 0.47
NLRP3 Q96P20 1/20 0.47
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL7476927 0.89 HDAC8 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7475904 0.88 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7478227 0.87 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7482164 0.86 MMP2 (0.49) RAB9ANPC1SMN1; SMN2KMT2ACNR2
SCHEMBL7471334 0.84 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7479933 0.83 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7482004 0.83 ALDH1A1 (0.46) MEN1KMT2AFAAHALDH1A1MAPT
SCHEMBL7472363 0.82 L3MBTL1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7482260 0.81 KCNA3 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7472887 0.81 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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