SCHEMBL2491934

SCHEMBL2491934

O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
POLB P06746 2/20 0.63
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.63
BLM P54132 2/20 0.63
APAF1 O14727 1/20 0.63
RECQL P46063 1/20 0.63
MPO P05164 1/20 0.63
PMP22 Q01453 1/20 0.63
HIF1A Q16665 1/20 0.63
DNMT1 P26358 3/20 0.55
CYP2C19 P33261 2/20 0.54
PKM P14618 2/20 0.54
DNMT3B Q9UBC3 1/20 0.54
ALOX15 P16050 1/20 0.53

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
SCHEMBL2945686 0.87 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL2945687 0.87 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL4309022 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL10701837 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL10701840 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL4309019 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL31036050 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL30661929 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL27577681 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1
SCHEMBL27367040 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383881-B1 PHOSPHINIC PEPTIDE DERIVATIVES FOR USE AS MMP-12 INHIBITORS DSM IP ASSETS BV (NL) 2019-07-31 EP claimed
JP-2011195451-A PEPTIDE FUKUOKA UNIV 2011-10-06 JP disclosed