SCHEMBL13409727

SCHEMBL13409727

CC(C)Oc1nc2c(c3ccccc13)OCOC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BTK Q06187 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL8274234 0.84 ALDH1A1 (0.42) ATMMAPTKDM4EALDH1A1
SCHEMBL13409382 0.80 ATM (0.38) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL13409384 0.78 ATM (0.44) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL8349936 0.73 USP2 (0.33) MAPTTSHRNPSR1
SCHEMBL13444587 0.72 TSHR (0.35) ATMMAPTTSHRL3MBTL1KDM4E
SCHEMBL13409365 0.68 BCHE (0.43) ATMMAPTTSHRL3MBTL1KDM4E
SCHEMBL8274126 0.67 KDM4E (0.39) ATMMAPTTSHRKDM4EALDH1A1
SCHEMBL13966259 0.65 ATM (0.56) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL13409367 0.63 MAPT (0.43) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL12779577 0.63 CYP1A2 (0.44) ATMMAPTBTKKDM4EALDH1A1

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
Send feedback