SCHEMBL6992891

SCHEMBL6992891

CC(CO)Oc1ccccc1C=Cc1cc2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.46
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAPT P10636 2/20 0.36
APP P05067 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.33
DAO P14920 1/20 0.33
MCL1 Q07820 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
ABCC2 Q92887 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6991264 1.00 ALB (0.46) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6995707 1.00 ALB (0.46) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6990796 0.81 ALB (0.48) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6994483 0.81 ALB (0.48) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6987722 0.81 ALB (0.48) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6990795 0.81 ALB (0.48) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6989986 0.77 ALB (0.51) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6989987 0.77 ALB (0.51) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6988897 0.74 ABL1 (0.51) ALBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6988902 0.74 ABL1 (0.51) ALBGRIN2DGRIN3BGRIN1GRIN2A

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
EP-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed