SCHEMBL8725862

SCHEMBL8725862

CCOc1ccc(Nc2[c]cccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC2A1 P11166 1/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NSD2 O96028 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB1 P19838 1/20 0.45
NQO1 P15559 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL7655071 0.86 NQO1 (0.44) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL8721612 0.83 BRAF (0.38) MAPTKMT2AKDM4EL3MBTL1HPGD
SCHEMBL6440705 0.81 RAB9A (0.55) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL8725379 0.78 KDM4E (0.43) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL8725864 0.78 NQO1 (0.54) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL8721609 0.77 KMT2A (0.45) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL3440767 0.77 MAPT (0.63) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL9479637 0.77 MAPT (0.63) MAPTKMT2AKDM4EPOLBL3MBTL1
SCHEMBL8725290 0.77 POLB (0.41) MAPTKDM4EPOLBL3MBTL1HPGD
SCHEMBL9514574 0.76 NQO1 (0.70) MAPTKMT2AKDM4EPOLBL3MBTL1

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-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed