SCHEMBL7832565

SCHEMBL7832565

COc1ccc(-c2c(C(=O)O)c(C(S)c3ncccc3O)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SLC10A2 Q12908 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TLR7 Q9NYK1 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
SCHEMBL7834045 0.80 KMT2A (0.40) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL7832560 0.77 TDP1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7835960 0.76 KDM4E (0.41) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL8495848 0.74 ALDH1A1 (0.47) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL14917022 0.73 PDE5A (0.48) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL7831686 0.72 FFAR1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8121664 0.72 FABP3 (0.53) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL7831730 0.72 FABP3 (0.44) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL8633281 0.71 ALDH1A1 (0.44) KDM4EALDH1A1SLC10A2MEN1KMT2A
SCHEMBL3750345 0.69 DHODH (0.54) KDM4EALDH1A1MEN1KMT2AMAPT

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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