SCHEMBL13680459

SCHEMBL13680459

Cc1ccc(-c2ccc3c(cnn3C)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
TRPA1 O75762 1/20 0.47
FAAH O00519 2/20 0.44
AR P10275 3/20 0.41
CCNC P24863 4/20 0.40
CDK8 P49336 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CREBBP Q92793 2/20 0.39
SRC P12931 2/20 0.39
USP7 Q93009 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL13680907 0.76 APP (0.42) APPTRPA1FAAHARCCNC
SCHEMBL23638931 0.72 TRPA1 (0.60) APPTRPA1FAAHARCCNC
SCHEMBL13680579 0.72 NR3C1 (0.60) APPTRPA1FAAHARCCNC
SCHEMBL21412250 0.71 USP7 (0.56) APPTRPA1FAAHARCCNC
SCHEMBL16364359 0.71 TRPA1 (0.51) APPTRPA1FAAHARCCNC
SCHEMBL424964 0.71 TRPA1 (0.46) APPTRPA1MAPT
SCHEMBL29769166 0.71 TRPA1 (0.46) APPTRPA1MAPT
SCHEMBL15344917 0.71 TRPA1 (0.48) APPTRPA1FAAHARCCNC
SCHEMBL15345075 0.71 TRPA1 (0.48) APPTRPA1FAAHARCCNC
SCHEMBL15344153 0.71 TRPA1 (0.48) APPTRPA1FAAHARCCNC

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