SCHEMBL6995099

SCHEMBL6995099

Cn1c(C=Cc2ccccc2O)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ALB P02768 1/20 0.52
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
DAO P14920 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ABCC2 Q92887 1/20 0.43
TRPA1 O75762 1/20 0.43
ECE2 P0DPD6 2/20 0.42

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
SCHEMBL6995096 1.00 ADORA2A (0.56) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6988195 0.84 KDM4E (0.50) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6988192 0.84 KDM4E (0.50) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6990043 0.84 ALB (0.50) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6990038 0.84 ALB (0.50) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6990816 0.81 ALB (0.47) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6990822 0.81 ALB (0.47) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL17433418 0.81 ALB (0.49) ADORA2AALBMAPTKMT2AKDM4E
SCHEMBL6988897 0.79 ABL1 (0.51) ALBMAPTKMT2AKDM4EMEN1
SCHEMBL6988902 0.79 ABL1 (0.51) ALBMAPTKMT2AKDM4EMEN1

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-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
US-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed