SCHEMBL20187563

SCHEMBL20187563

O=C(O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TTR P02766 2/20 0.56
FTO Q9C0B1 2/20 0.56
CYP3A4 P08684 2/20 0.56
RECQL P46063 2/20 0.56
BCHE P06276 1/20 0.56
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56

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
SCHEMBL20187634 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20188766 0.83 MAOA (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20187576 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10037461 0.81 MAOA (0.56) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL10037462 0.81 MAOA (0.56) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL10037463 0.80 MAOA (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20190666 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20187588 0.79 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20189223 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20189173 0.76 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO claimed