SCHEMBL9749540

SCHEMBL9749540

Cc1ncsc1SCC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
VHL P40337 1/20 0.33
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL7818255 0.69 KDM4E (0.36) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL7814875 0.67 KDM4E (0.34) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL9750233 0.67 KDM4E (0.40) KDM4ESLC6A3ALDH1A1
SCHEMBL1279680 0.66 KDM4E (0.50) KDM4EPKMSLC6A3ALDH1A1MEN1
SCHEMBL10482490 0.66 KDM4E (0.46) KDM4EPKMSLC6A3ALDH1A1MEN1
SCHEMBL11368864 0.64 KDM4E (0.48) KDM4EPKMSLC6A3MEN1KMT2A
SCHEMBL9361993 0.64 KDM4E (0.48) KDM4EPKMSLC6A3ALDH1A1MEN1
SCHEMBL192563 0.63
SCHEMBL9748006 0.63 KDM4E (0.42) KDM4EPKMALDH1A1MAPK1HSD17B10
Bromide SCHEMBL11363394 0.63 KDM4E (0.47) KDM4EPKMSLC6A3MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed