SCHEMBL13680984

SCHEMBL13680984

Cn1ncc2cc(-c3nc(CCC=O)cs3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPA1 O75762 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
AR P10275 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PDE10A Q9Y233 1/20 0.36
APP P05067 1/20 0.36
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.35
ENPP2 Q13822 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
SCHEMBL13680855 0.78 IRAK4 (0.42) TRPA1IRAK4CCNCCDK8AR
SCHEMBL13680907 0.76 APP (0.42) TRPA1CCNCCDK8ARAPP
SCHEMBL13680618 0.76 TRPA1 (0.46) TRPA1IRAK4CCNCCDK8AR
SCHEMBL13680926 0.74 LMNA (0.56) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL13680981 0.74 GSK3B (0.46) TRPA1CDK8
SCHEMBL13681062 0.73 LMNA (0.44) LMNASMN1; SMN2L3MBTL1KDM4ERXFP1
SCHEMBL13680955 0.73 GAA (0.42) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13680986 0.72 GUSB (0.45) ENPP2
SCHEMBL13681055 0.72 KDM4E (0.46) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13680922 0.72 GFER (0.62) LMNASMN1; SMN2KDM4EALDH1A1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed