SCHEMBL13680518

SCHEMBL13680518

COc1ncc(-c2ccc(C)o2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
FTO Q9C0B1 3/20 0.39
GSK3B P49841 3/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PIK3CA P42336 1/20 0.36
PDE4A P27815 1/20 0.35
PTGS1 P23219 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
SCHEMBL13680715 0.80 TDP1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680457 0.79 MAPT (0.49) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680718 0.77 ALDH1A1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680711 0.77 ALDH1A1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680720 0.74 GSK3B (0.38) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680700 0.74 MAP4K4 (0.41) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680709 0.74 GRM5 (0.37) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680469 0.73 NPC1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13681360 0.73 ALDH1A1 (0.40) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13680704 0.73 SMN1; SMN2 (0.53) MAPTALDH1A1HPGDSMN1; SMN2NPC1

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