SCHEMBL13680997

SCHEMBL13680997

Cc1nc2ccc(-c3nc(CCC=O)cs3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
GFER P55789 2/20 0.41
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 4/20 0.39
HCRTR1 O43613 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL13680996 0.80 QPCT (0.44)
SCHEMBL13680995 0.80 CDC25A (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL13680624 0.77 NPC1 (0.51) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL13680926 0.77 LMNA (0.56) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL13680972 0.76 ALDH1A1 (0.45) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL13680991 0.76 PDE3B (0.48) SMN1; SMN2POLBALDH1A1KDM4EGAA
SCHEMBL13681003 0.75 HRH3 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL13680986 0.75 GUSB (0.45) NPC1MAPTENPP2
SCHEMBL13680981 0.74 GSK3B (0.46) DYRK1A
SCHEMBL13680955 0.73 GAA (0.42) RAB9ASMN1; SMN2NPC1POLBALDH1A1

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