SCHEMBL8996419

SCHEMBL8996419

COc1cccc2c1C(=O)c1c(OC)cc(-c3nc4ccccc4n3C)cc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL8996467 0.85 KDM4E (0.53) ELANEKDM4ERAB9AALDH1A1NPC1
SCHEMBL8996388 0.80 ALDH1A1 (0.52) ELANEKDM4ERAB9AALDH1A1NPC1
SCHEMBL16689153 0.76 SMN1; SMN2 (0.59) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL11314713 0.75 KDM4E (0.54) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL8996330 0.75 AMY1A (0.54) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL6510175 0.74 KDM4E (0.62) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2245507 0.73 KDM4E (0.68) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL25311250 0.73 MEN1 (0.51) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL30472181 0.73 MEN1 (0.51) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL9878296 0.71 ELANE (0.60) ELANEKDM4ERAB9AALDH1A1MAPT

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-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed