SCHEMBL13680589

SCHEMBL13680589

Cc1ccc(-c2ccc3c[nH]cc3c2)o1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.39
ALK Q9UM73 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17215003 0.78 SMN1; SMN2 (0.49) GSK3BKDM4ENPC1ALDH1A1LMNA
SCHEMBL18551784 0.74 GSK3B (0.56) GSK3BKDM4ENPC1ALDH1A1HPGD
SCHEMBL23197679 0.73 TDP1 (0.56) GSK3BKDM4ENPC1ALDH1A1LMNA
SCHEMBL13680470 0.72 NPC1 (0.50) NPC1GAA
SCHEMBL18551785 0.72 BRD4 (0.50) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13680599 0.72 CA12 (0.54) GSK3B
SCHEMBL14138060 0.70 FGFR1 (0.54) GSK3BKDM4E
SCHEMBL13680459 0.69 APP (0.49) GSK3BKDM4ENPC1ALDH1A1LMNA
SCHEMBL2709215 0.68 AHR (0.50) GSK3BKDM4ENPC1ALDH1A1GAA
SCHEMBL17214829 0.68 GSK3B (0.49) GSK3BKDM4ENPC1ALDH1A1LMNA

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