SCHEMBL13409341

SCHEMBL13409341

COc1ccc2c(OC(C)C)nc(-c3csc(N(C)C)n3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ATM Q13315 1/20 0.36
GRM1 Q13255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
BTK Q06187 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
COPS5 Q92905 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32

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
SCHEMBL8272622 0.89 GRM1 (0.38) MAPTGRM1L3MBTL1SMN1; SMN2MEN1
SCHEMBL8351590 0.81 GRM1 (0.40) MAPTATMGRM1L3MBTL1SMN1; SMN2
SCHEMBL3429590 0.81 TYR (0.41) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL13409339 0.78 APP (0.44) MAPTATMMEN1KMT2ARAB9A
SCHEMBL13409338 0.76 MAPT (0.41) MAPTATML3MBTL1SMN1; SMN2BTK
SCHEMBL13409379 0.76 PDGFRB (0.43) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL13409378 0.75 MAPT (0.46) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL13409333 0.74 CYP1A1 (0.42) MAPTATMCYP1A1CYP1B1RAB9A
SCHEMBL13409376 0.74 MAPT (0.55) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL15692155 0.74 ALDH1A1 (0.44) MAPTGRM1L3MBTL1SMN1; SMN2MEN1

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