SCHEMBL9669683

SCHEMBL9669683

CC(C)(C)OC(=O)Nc1cccc2[nH]n(Cc3cccnc3)c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
CYP3A4 P08684 2/20 0.41
NAMPT P43490 2/20 0.40
P2RX7 Q99572 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
PKM P14618 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.37
PSMB8 P28062 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9645173 0.80 ALOX5 (0.54) ALOX5CYP3A4NAMPTPKMALDH1A1
SCHEMBL9603339 0.76 ALOX5 (0.74) ALOX5NAMPTPKMMAPK10ALDH1A1
SCHEMBL9597381 0.74 ALOX5 (0.80) ALOX5PKMALDH1A1KDM4EBRD4
SCHEMBL2413941 0.72 NAMPT (0.51) CYP3A4NAMPTP2RX7HSD17B13KDM4E
SCHEMBL5716528 0.72 CYP3A4 (0.44) CYP3A4NAMPTPKMALDH1A1BRD4
SCHEMBL9596075 0.70 ALOX5 (1.00) ALOX5ALDH1A1KDM4E
SCHEMBL25202486 0.69 HSD17B13 (0.42) NAMPTHSD17B13RAB9A
SCHEMBL30426687 0.69 HSD17B13 (0.42) NAMPTHSD17B13RAB9A
SCHEMBL2413942 0.69 HDAC1 (0.52) CYP3A4NAMPTKDM4EPOLB
SCHEMBL27218620 0.68 KCNK13 (0.43) CYP3A4NAMPTP2RX7ALDH1A1KDM4E

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-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed