SCHEMBL13680840

SCHEMBL13680840

CC(=O)Oc1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
SCN9A Q15858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
ELANE P08246 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13680838 0.88 SCN9A (0.42) RAB9ANPC1KMT2AMEN1SCN9A
SCHEMBL13680839 0.88 ALDH1A1 (0.45) RAB9ANPC1KMT2ALMNAGAA
SCHEMBL13680842 0.88 RAB9A (0.45) RAB9ANPC1KMT2ALMNAGAA
SCHEMBL13681339 0.86 SCN9A (0.38) RAB9ANPC1KMT2ASCN9AMAPT
SCHEMBL13680815 0.85 PDE10A (0.46) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL13680825 0.82 MAPT (0.41) KMT2ALMNASCN9AHSD17B10MAPT
SCHEMBL13680828 0.81 ALDH1A1 (0.42) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL13680834 0.80 PDE10A (0.39) RAB9AKMT2AMEN1HSD17B10MAPT
SCHEMBL13680830 0.80 RARA (0.44) RAB9ANPC1GAANFKB1NFKB2
SCHEMBL13680827 0.79 KMT2A (0.50) RAB9ANPC1KMT2AMEN1LMNA

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