SCHEMBL7821085

SCHEMBL7821085

COc1ccc(-c2c(C(=O)O)c(CSC3=NCCS3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SLC10A2 Q12908 2/20 0.35

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
SCHEMBL7831617 0.90 SLC10A2 (0.47) MAPTKMT2AHSD17B10RAB9AKDM4E
SCHEMBL7836104 0.80 FABP3 (0.44) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL14917022 0.80 PDE5A (0.48) MAPTKMT2AHSD17B10KDM4ELMNA
SCHEMBL8121664 0.79 FABP3 (0.53) MAPTKMT2AHSD17B10KDM4ELMNA
SCHEMBL7833827 0.79 ALDH1A1 (0.46) MAPTKMT2AHSD17B10RAB9AKDM4E
SCHEMBL8633281 0.78 ALDH1A1 (0.44) MAPTKMT2AHSD17B10KDM4ELMNA
SCHEMBL7831737 0.78 FABP3 (0.44) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL7832560 0.78 TDP1 (0.40) MAPTKMT2AHSD17B10KDM4ELMNA
SCHEMBL7822008 0.78 RECQL (0.47) MAPTKMT2ARAB9AKDM4ELMNA
SCHEMBL7834035 0.78 ALDH1A1 (0.44) MAPTKMT2AHSD17B10RAB9AKDM4E

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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