SCHEMBL6994483

SCHEMBL6994483

COC(=O)C(C)Oc1ccccc1C=Cc1cc2ccccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.48
APP P05067 1/20 0.38
MCL1 Q07820 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.36
F9 P00740 1/20 0.36
PLAU P00749 1/20 0.36
CNR2 P34972 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6987722 1.00 ALB (0.48) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6990795 1.00 ALB (0.48) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6990796 1.00 ALB (0.48) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6992891 0.81 ALB (0.46) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6995707 0.81 ALB (0.46) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6991264 0.81 ALB (0.46) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6989986 0.79 ALB (0.51) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL6989987 0.79 ALB (0.51) ALBAPPMCL1GRIN2DGRIN3B
SCHEMBL5487013 0.75 NFE2L2 (0.45) MAPTF9PLAUNFE2L2KDM4E
SCHEMBL5487009 0.75 NFE2L2 (0.45) MAPTF9PLAUNFE2L2KDM4E

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