SCHEMBL13680907

SCHEMBL13680907

Cn1ncc2cc(-c3ccc(CCC=O)o3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
TRPA1 O75762 1/20 0.40
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
FAAH O00519 2/20 0.39
AR P10275 5/20 0.38
CTNNB1 P35222 1/20 0.36
TCF7 P36402 1/20 0.36
USP7 Q93009 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
USP30 Q70CQ3 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
SCHEMBL13680984 0.76 LMNA (0.39) APPTRPA1CCNCCDK8FAAH
SCHEMBL13680459 0.76 APP (0.49) APPTRPA1CCNCCDK8FAAH
SCHEMBL13680855 0.75 IRAK4 (0.42) TRPA1CCNCCDK8ARBRD4
SCHEMBL13680866 0.71 ALDH1A1 (0.60)
SCHEMBL13680899 0.71 CYP2C19 (0.40)
SCHEMBL13681006 0.71 CYP2C19 (0.39)
SCHEMBL13681030 0.70 ALDH1A1 (0.37) BRD4CREBBP
SCHEMBL13681027 0.70 HTR6 (0.32)
SCHEMBL13681328 0.70 CREBBP (0.40) APPTRPA1CCNCCDK8FAAH
SCHEMBL13680974 0.70 ALDH1A1 (0.35)

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