SCHEMBL9750233

SCHEMBL9750233

O=C(O)C(CSc1cscn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL9749243 0.82 CPA1 (0.36) KDM4E
SCHEMBL9565308 0.68 KDM4E (0.44) KDM4ESLC6A3KDM4C
Potassium Ion SCHEMBL11840378 0.64 KDM4E (0.39) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL13134298 0.64 THRB (0.40) KDM4EALDH1A1
SCHEMBL11879750 0.63 KMT2A (0.39) KDM4EALDH1A1
SCHEMBL7289766 0.62 CPA1 (0.46) KDM4ESLC6A3KDM4C
SCHEMBL7289773 0.62 CPA1 (0.46) KDM4ESLC6A3KDM4C
SCHEMBL9672400 0.62 KDM4E (0.45) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL16682792 0.61 MAPK1 (0.40) KDM4ESLC6A3ALDH1A1KDM4C
SCHEMBL990477 0.61 DPP4 (0.49) KDM4ESLC6A3ALDH1A1

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