SCHEMBL9828154

SCHEMBL9828154

COc1ccc(-c2cnn(CC(C)=O)c(=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHEK1 O14757 1/20 0.46
FYN P06241 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9827533 0.87 NPC1 (0.46) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9829358 0.87 CHEK1 (0.44) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9828844 0.87 CHEK1 (0.50) LMNANPC1RAB9ASMN1; SMN2CHEK1
SCHEMBL9829354 0.86 CHEK1 (0.43) LMNANPC1RAB9ASMN1; SMN2CHEK1
SCHEMBL9831218 0.85 RAB9A (0.42) NPC1RAB9ASMN1; SMN2HSD17B10POLB
SCHEMBL9828939 0.84 MGAM (0.47) LMNANPC1RAB9ACHEK1MEN1
SCHEMBL9829309 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9828617 0.83 ALDH1A1 (0.51) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9829126 0.82 CHEK1 (0.40) LMNANPC1RAB9ASMN1; SMN2CHEK1
SCHEMBL9828505 0.82 ADORA3 (0.46) RAB9ATSHRHSD17B10MEN1POLB

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-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed