SCHEMBL7832556

SCHEMBL7832556

COc1ccc(-c2c(C(=O)O)c(CCc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 3/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FABP3 P05413 1/20 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
SCHEMBL7829714 0.89 SLC10A2 (0.52) SLC10A2KMT2AKDM4EMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8132935 0.89 SLC10A2 (0.51) SLC10A2KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL8132448 0.85 EGFR (0.39) SLC10A2KMT2AKDM4EMEN1HSD17B10
SCHEMBL8133293 0.85 EGFR (0.39) SLC10A2KMT2AKDM4EMEN1HSD17B10
SCHEMBL8132452 0.85 EGFR (0.39) SLC10A2KMT2AKDM4EMEN1HSD17B10
SCHEMBL8121479 0.84 SLC10A2 (0.51) SLC10A2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7834035 0.84 ALDH1A1 (0.44) KMT2AKDM4EMEN1HSD17B10SMN1; SMN2
SCHEMBL7818992 0.83 ALDH1A1 (0.43) SLC10A2KMT2AKDM4EMEN1HSD17B10
SCHEMBL8137994 0.83 SLC10A2 (0.41) SLC10A2KMT2AKDM4EMEN1HSD17B10
SCHEMBL7835671 0.82 SLC10A2 (0.36) SLC10A2KMT2AKDM4EMEN1HSD17B10

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 2 patents. 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
EP-0634169-B1 Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-05 — — EP claimed
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