SCHEMBL20187634

SCHEMBL20187634

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 3/20 0.54
MAOA P21397 3/20 0.54
MAPK1 P28482 3/20 0.54
HPGD P15428 3/20 0.54
ALOX15 P16050 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
LMNA P02545 2/20 0.54
MAOB P27338 2/20 0.54
HTT P42858 1/20 0.54
STAT3 P40763 3/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ELANE P08246 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP3A4 P08684 3/20 0.50
RECQL P46063 3/20 0.50

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
SCHEMBL10037461 0.94 MAOA (0.56) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL20187563 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL20189238 0.86 MEN1 (0.43) ALDH1A1MAPTTDP1MAOAMAPK1
SCHEMBL20188766 0.85 MAOA (0.50) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL6000950 0.83 STAT3 (0.46) ALDH1A1MAPTMAOAHPGDSMN1; SMN2
SCHEMBL10037462 0.79 MAOA (0.56) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL20187666 0.77 HPGD (0.51) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL10037463 0.76 MAOA (0.51) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL20190666 0.76 ALDH1A1 (0.43) ALDH1A1MAPTTDP1TSHRMAOA
SCHEMBL20189223 0.76 ALDH1A1 (0.43) ALDH1A1MAPTTDP1TSHRMAOA

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