SCHEMBL7208046

SCHEMBL7208046

O=[C]OCCOc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
MAPK1 P28482 1/20 0.65
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
AGXT P21549 2/20 0.52
PTPN7 P35236 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.49
HDAC1 Q13547 1/20 0.48
PPARG P37231 5/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
HTT P42858 2/20 0.46
DRD3 P35462 1/20 0.45

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
SCHEMBL16902851 0.84 TDP1 (0.87) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL7345608 0.80 KDM4E (0.61) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL8673201 0.79 TDP1 (1.00) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL15657734 0.79 TDP1 (1.00) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL5144004 0.79 KCNA3 (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2177291 0.79 KDM4E (0.77) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL8674825 0.79 TDP1 (1.00) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL8565990 0.78 TDP1 (0.76) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL29429997 0.78 TDP1 (0.76) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL1859481 0.78 TDP1 (0.76) KDM4ETDP1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903350-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 2003-03-12 EP disclosed
EP-0518238-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 1999-04-07 EP disclosed
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed