SCHEMBL13680714

SCHEMBL13680714

Cc1ccc(-c2cnc(N(C)C)cn2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
PDE10A Q9Y233 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13680505 0.76 APP (0.49) APPMAPTKDM4EALDH1A1LMNA
SCHEMBL13680723 0.74 NPC1 (0.49) ADORA2AADORA1TDP1KAT8MAPT
SCHEMBL13681023 0.72
SCHEMBL13849841 0.69 ALDH1A1 (0.40) TDP1KAT8MAPTALOX15KDM4E
SCHEMBL13680709 0.68 GRM5 (0.37) ADORA2AADORA1TDP1APPMAPT
SCHEMBL10064162 0.67 TDP1 (0.62) ADORA2AADORA1TDP1MAPTKMT2A
SCHEMBL21929982 0.67 TDP1 (0.62) ADORA2AADORA1TDP1MAPTKMT2A
SCHEMBL11983826 0.67 TDP1 (0.62) ADORA2AADORA1TDP1MAPTKMT2A
SCHEMBL12924643 0.66 MAPT (0.44) ADORA2ATDP1APPMAPTKMT2A
SCHEMBL13680687 0.66 CCR1 (0.55) ADORA2AADORA1CKS1BSKP1SKP2

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