SCHEMBL6793677

SCHEMBL6793677

COC(=O)c1c(N)ccc2c1C=CC(c1ccccc1)(c1ccc(OC)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
HDAC2 Q92769 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ATM Q13315 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
NPY1R P25929 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9114805 0.88 KDM4E (0.40) KIF11OPRM1OPRL1ATML3MBTL1
SCHEMBL7844950 0.82 KDM4E (0.36) L3MBTL1HTTRAB9AMAPTMAPK1
SCHEMBL8742039 0.82 P2RX7 (0.35) KIF11OPRM1OPRL1ATML3MBTL1
SCHEMBL6801243 0.82 RAB9A (0.37) ATML3MBTL1RAB9ATDP1POLB
SCHEMBL7770465 0.81 LMNA (0.35) L3MBTL1HTTNPC1RAB9APOLB
SCHEMBL6792314 0.81 CA12 (0.43) HTTRAB9AHDAC9TP53LMNA
SCHEMBL7768682 0.79 HTT (0.40) HTTNPC1RAB9ATDP1POLB
SCHEMBL9111945 0.77 NCEH1 (0.34) TDP1POLBLMNAMAPTKMT2A
SCHEMBL8117763 0.77 GRK6 (0.32) NPC1RAB9APOLBLMNAMAPT
SCHEMBL7847009 0.77 CA12 (0.39) HTTLMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004085569-A2 PHOTOCHROMIC ARTICLES THAT ACTIVATE BEHIND ULTRAVIOLET RADIATION BLOCKING TRANSPARENCIES AND METHODS FOR PREPARATION TRANSITIONS OPTICAL, INC. (US) 2004-10-07 WO claimed