SCHEMBL6962859

SCHEMBL6962859

O=C(/C=C/C(=O)Oc1nccn1C/C=C/c1cc2ccccc2o1)Oc1nccn1C/C=C/c1cc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAOB P27338 2/20 0.34
F12 P00748 1/20 0.34
PKM P14618 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL7086170 0.74 KDM4E (0.45) RAB9AGAAMEN1KMT2AALDH1A1
Fumaric Acid SCHEMBL6962864 0.70 CYP19A1 (0.49) MAPTMAPK1NPC1RAB9ALMNA
Fumaric Acid SCHEMBL6962854 0.70 CYP19A1 (0.49) MAPTMAPK1NPC1RAB9ALMNA
SCHEMBL3209460 0.66 RAB9A (0.62) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL3209446 0.66 RAB9A (0.62) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL6950504 0.66 CYP2A6 (0.55) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL6950514 0.66 CYP2A6 (0.55) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL6070874 0.65 MAPT (0.58) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL6070869 0.65 MAPT (0.58) MAPTMAPK1NPC1RAB9APLIN1
SCHEMBL9110304 0.65 CYP3A4 (0.62) MAPTMAPK1NPC1RAB9APLIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed