SCHEMBL7478227

SCHEMBL7478227

CCOc1cccc(C(=O)NC2(c3ccccc3)C(=O)NC(=O)NC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
KAT6A Q92794 1/20 0.50
ALOX12 P18054 1/20 0.50
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL7481304 0.87 NPC1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7480996 0.87 RAB9A (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7476927 0.86 HDAC8 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1KAT6A
SCHEMBL7472887 0.81 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7466432 0.78 IRAK4 (0.45) ALDH1A1KAT6A
SCHEMBL7483118 0.78 NR1H4 (0.44) SMN1; SMN2NR1H4KMT2ALMNATP53
SCHEMBL7478056 0.78 KMT2A (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7482164 0.76 MMP2 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7478795 0.74 LMNA (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13753632 0.73 TP53 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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