SCHEMBL6801243

SCHEMBL6801243

COC(=O)c1c(N)ccc2c1C=CC(c1ccc(OC)cc1)(c1ccc3c(c1)CC(C)O3)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ACHE P22303 1/20 0.33
MTNR1A P48039 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6793677 0.82 KIF11 (0.37) RAB9ATDP1POLBTP53ATM
SCHEMBL5646759 0.73 RAB9A (0.38) RAB9ATDP1GABRA1GABRB2ACHE
SCHEMBL9114805 0.71 KDM4E (0.40) RAB9ATDP1TP53KDM4EALDH1A1
SCHEMBL8978547 0.70 RAB9A (0.39) RAB9ATDP1GABRA1GABRB2ACHE
SCHEMBL7454979 0.68 FAAH (0.35) RAB9APOLBKDM4EALDH1A1GAA
SCHEMBL5650291 0.68 RAB9A (0.39) RAB9ATDP1GABRA1GABRB2ACHE
SCHEMBL8742039 0.66 P2RX7 (0.35) RAB9ATDP1POLBTP53ATM
SCHEMBL5646592 0.66 RAB9A (0.34) RAB9ATDP1KDM4EALDH1A1GAA
SCHEMBL7844950 0.65 KDM4E (0.36) RAB9AKDM4EALDH1A1GAAL3MBTL1
SCHEMBL8978557 0.64 TDP1 (0.63) RAB9ATDP1GABRA1GABRB2MTNR1A

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 disclosed