SCHEMBL11717700

SCHEMBL11717700

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCCC2)c1Sc1ccccc1.NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCCC2)c1[S+]([O-])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ERAP1 Q9NZ08 3/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 4/20 0.34
▸ CA7 P43166 4/20 0.34
▸ CA13 Q8N1Q1 4/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA4 P22748 3/20 0.34

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
SCHEMBL11544198 0.91 KDM4E (0.58) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543513 0.89 KDM4E (0.59) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543455 0.88 KDM4E (0.60) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL10281400 0.87 KDM4E (0.61) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11548236 0.81 KDM4E (0.51) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542663 0.78 KDM4E (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11547152 0.78 KDM4E (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL10281398 0.77 ALDH1A1 (0.51) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11717707 0.76 KDM4E (0.45) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543237 0.76 ALDH1A1 (0.45) KDM4EHSD17B10USP2ALDH1A1LMNA

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
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
Send feedback