SCHEMBL13409385

SCHEMBL13409385

CSc1cccc2c(C(C)C)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 4/20 0.40
▸ COPS5 Q92905 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ HIF1A Q16665 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL12128843 0.80 LMNA (0.45) PSMD14COPS5HIF1ACYP2C19LMNA
SCHEMBL12131703 0.77 HTR1A (0.53) PSMD14COPS5LMNAL3MBTL1NPC1
SCHEMBL4364047 0.76 KDM4E (0.49) PSMD14COPS5HIF1ALMNAL3MBTL1
SCHEMBL26971200 0.76 PSMD14 (0.40) PSMD14COPS5HIF1ACYP2C19LMNA
SCHEMBL2963509 0.76 PSMD14 (0.45) PSMD14HIF1ALMNAIDO1L3MBTL1
SCHEMBL23479346 0.76 NR4A2 (0.56) PSMD14COPS5LMNAL3MBTL1NPC1
SCHEMBL21173367 0.76 PARP1 (0.41) PSMD14COPS5ADORA2AADORA1LMNA
SCHEMBL25636281 0.73 NCF1 (0.49) PSMD14COPS5CYP2C19ADORA2AADORA1
SCHEMBL24392332 0.73 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BHPGD
SCHEMBL13201607 0.73 SLC40A1 (0.47) PSMD14L3MBTL1NPC1HSP90AA1HTR1A

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
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