SCHEMBL13680486

SCHEMBL13680486

COC(=O)Nc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KLK7 P49862 1/20 0.47
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP13 P45452 1/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPN1 P18031 3/20 0.43

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
SCHEMBL13680490 0.85 PSMB8 (0.54) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL13680461 0.83 SMN1; SMN2 (0.60) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL13680488 0.82 KIF11 (0.59) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL13680510 0.81 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL13680492 0.79 TSHR (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL7251623 0.78 SMN1; SMN2 (0.72) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL13680716 0.77 MAPT (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL5655892 0.77 GSK3B (0.64) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL9609808 0.76 SMN1; SMN2 (0.82) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL13680705 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1HPGD

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