SCHEMBL7835671

SCHEMBL7835671

COc1ccc(-c2c(C(=O)O)c(C[S+]([O-])c3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 3/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL7832428 0.90 SLC10A2 (0.47) SLC10A2KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL7832556 0.82 SLC10A2 (0.39) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL7834035 0.81 ALDH1A1 (0.44) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL7835953 0.78 ALDH1A1 (0.43) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL14917022 0.78 PDE5A (0.48) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL8121664 0.77 FABP3 (0.53) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL7830294 0.77 AMY1A (0.40) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL7818992 0.76 ALDH1A1 (0.43) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL8633281 0.76 ALDH1A1 (0.44) SLC10A2KMT2AMEN1KDM4EHSD17B10
SCHEMBL7834045 0.75 KMT2A (0.40) SLC10A2KMT2AMEN1KDM4EHSD17B10

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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