SCHEMBL28053949

SCHEMBL28053949

CN(O[SH](=O)=O)c1cnc2sc(C(=O)O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.33
▸ GPR35 Q9HC97 2/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ STING1 Q86WV6 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ DAO P14920 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
SCHEMBL28053905 0.74 GPR35 (0.40) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL28053872 0.69 DAO (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL25409122 0.68 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL16557145 0.68 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL31435440 0.68 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL32686064 0.68 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL13977425 0.68 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL28949829 0.67 NPC1 (0.40) MEN1KMT2AALDH1A1PKMGPR35
SCHEMBL22777733 0.64 BCL2L1 (0.46) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL16395791 0.64 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1PKM

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
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 — — CN disclosed
Send feedback