SCHEMBL8996327

SCHEMBL8996327

O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nnn[nH]3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAOA P21397 3/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
MAOB P27338 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 2/20 0.51
ELANE P08246 2/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL8996320 0.77 EGFR (0.45) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL8996439 0.76 TTR (0.57) ALDH1A1MAPTTDP1MAPK1LMNA
SCHEMBL8996325 0.74 F7 (0.51) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL22909075 0.74 ALDH1A1 (0.62) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL15413504 0.74 ALDH1A1 (0.62) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL8996347 0.73 TTR (0.43) ALDH1A1MAPTMAPK1LMNAHPGD
Danthron SCHEMBL29356886 0.72 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL30544826 0.72 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
Danthron SCHEMBL83688 0.72 MAPT (1.00) ALDH1A1MAPTTSHRTDP1MAOA
SCHEMBL28012200 0.71 ALDH1A1 (0.59) ALDH1A1MAPTTSHRTDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed