SCHEMBL13961695

SCHEMBL13961695

Cc1c(-c2ccccc2)c(=O)oc(=O)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.44
▸ LIPE Q05469 1/20 0.41
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ KCNA3 P22001 3/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL1522614 0.76 ALDH1A1 (0.57) PDGFRAMAPK8CDK5CLK4LMNA
SCHEMBL11429710 0.75 LMNA (0.58) PDGFRAMAPK8CDK5CLK4LMNA
SCHEMBL18701256 0.74 MAPT (0.45) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL18701285 0.72 MAPT (0.41) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL1522731 0.72 PDGFRA (0.40) PDGFRAMAPK8CDK5CLK4ERAP1
SCHEMBL14323101 0.72 PDGFRA (0.53) PDGFRAMAPK8CDK5CLK4ERAP1
SCHEMBL1376897 0.70 KMT2A (0.51) LMNAKMT2ASMN1; SMN2CDK8ACVR1
SCHEMBL18701282 0.69 MAPT (0.39) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL1400093 0.69 LIPE (0.31) LIPECYP1A2
SCHEMBL10460355 0.69 TSHR (0.47) LIPECYP1A2LMNAMAPTHTT

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-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 — — US disclosed
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