SCHEMBL13680505

SCHEMBL13680505

Cc1ccc(-c2ccc(N(C)C)nc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.49
TDO2 P48775 1/20 0.40
MAP3K11 Q16584 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AOC3 Q16853 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
SCHEMBL13680709 0.79 GRM5 (0.37) APPRAB9ANPC1GAAKDM4E
SCHEMBL13680469 0.78 NPC1 (0.42) TDO2RAB9ANPC1GAAKDM4E
SCHEMBL13680714 0.76 ADORA2A (0.36) APPRAB9ANPC1GAAKDM4E
SCHEMBL13680455 0.75 CYP2A6 (0.45) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL13680715 0.74 TDP1 (0.42) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL13680457 0.72 MAPT (0.49) TDO2RAB9ANPC1ALDH1A1HPGD
SCHEMBL13680902 0.72 APP (0.40) APPTDO2MAP3K11RAB9ANPC1
SCHEMBL23197679 0.72 TDP1 (0.56) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL19187780 0.72 MAP3K11 (0.47) APPTDO2MAP3K11RAB9ANPC1
SCHEMBL13681286 0.71 ALDH1A1 (0.41) RAB9ANPC1GAAKDM4EALDH1A1

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