SCHEMBL13409332

SCHEMBL13409332

CC(C)Oc1nc(Cl)cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
MAPT P10636 4/20 0.49
ATM Q13315 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TLR8 Q9NR97 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 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
SCHEMBL13409325 0.81 BTK (0.52) BTKMAPTATML3MBTL1TSHR
SCHEMBL4267384 0.81 BTK (0.52) BTKMAPTATML3MBTL1TSHR
SCHEMBL161865 0.80 BTK (0.48) BTKMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL13409319 0.78 BTK (0.50) BTKMAPTATML3MBTL1TSHR
SCHEMBL13409327 0.77 BTK (0.59) BTKMAPTATML3MBTL1TSHR
SCHEMBL2228147 0.76 L3MBTL1 (0.36) BTKMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL30803676 0.76 L3MBTL1 (0.36) BTKMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL13409372 0.76 BTK (0.48) BTKMAPTATML3MBTL1TSHR
SCHEMBL2667063 0.74 KDM4E (0.45) MAPTTSHRKDM4EALDH1A1CYP1A2
SCHEMBL17580818 0.74 BTK (0.50) BTKMAPTATML3MBTL1TSHR

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed