SCHEMBL13680986

SCHEMBL13680986

O=CCCc1csc(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GUSB P08236 6/20 0.45
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.41
CHEK1 O14757 2/20 0.41
PSMB8 P28062 1/20 0.40
ENPP2 Q13822 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 2/20 0.39
CYP2A6 P11509 1/20 0.39
KLKB1 P03952 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL13681003 0.83 HRH3 (0.39) MAPTENPP2
SCHEMBL13680981 0.81 GSK3B (0.46) CHEK1
SCHEMBL13680992 0.81 PIK3CD (0.46) KLKB1
SCHEMBL13680995 0.80 CDC25A (0.48) MAPTENPP2
SCHEMBL13680996 0.78 QPCT (0.44)
SCHEMBL13681061 0.75 LMNA (0.38) MAPTENPP2NPC1
SCHEMBL13680997 0.75 RAB9A (0.41) MAPTENPP2NPC1
SCHEMBL13680943 0.74 RAB9A (0.48) MAPTNPC1
SCHEMBL13680922 0.74 GFER (0.62) MAPTNPC1
SCHEMBL13680926 0.74 LMNA (0.56) MAPTNPC1

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