SCHEMBL28638696

SCHEMBL28638696

NC(/C=N/O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL27501005 1.00 DPP4 (0.44) DPP4F2LMNAADRA2AADRA2C
SCHEMBL25620243 0.81 DPP4 (0.48) DPP4F2LMNAADRA2AADRA2C
SCHEMBL11920067 0.78 CHRNA7 (0.35) LMNA
SCHEMBL23339919 0.77 DPP4 (0.44) DPP4F2LMNAADRA2AADRA2C
SCHEMBL21202332 0.77 IDO1 (0.41) ALDH1A1MAPK1
SCHEMBL4632000 0.76 NPSR1 (0.42) DPP4F2LMNAALDH1A1MAPK1
SCHEMBL4631998 0.76 NPSR1 (0.42) DPP4F2LMNAALDH1A1MAPK1
SCHEMBL1583344 0.74 LMNA (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL1583342 0.74 LMNA (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL5664847 0.73 TSHR (0.44) DPP4F2LMNAALDH1A1MAPK1

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-109942505-B Isothiazolinone compounds and corresponding use 华东理工大学 2021-08-27 CN disclosed