SCHEMBL30778142

SCHEMBL30778142

O=[N+]([O-])C=Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 1.00
TLR4 O00206 4/20 0.64
TLR2 O60603 4/20 0.64
FBP1 P09467 7/20 0.60
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.48
AGTR1 P30556 1/20 0.48

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
SCHEMBL2437026 1.00 VCP (1.00) VCPTLR4TLR2FBP1CYP11B1
SCHEMBL2437030 1.00 VCP (1.00) VCPTLR4TLR2FBP1CYP11B1
SCHEMBL510245 0.78 TLR4 (0.70) VCPTLR4TLR2FBP1ALDH1A1
SCHEMBL510246 0.78 TLR4 (0.70) VCPTLR4TLR2FBP1ALDH1A1
SCHEMBL76743 0.77 MAPT (0.67) VCPFBP1CYP11B1CYP11B2MAPT
SCHEMBL76742 0.77 MAPT (0.67) VCPFBP1CYP11B1CYP11B2MAPT
SCHEMBL29691623 0.77 CYP11B1 (0.86) VCPCYP11B1CYP11B2MAPTKDM4E
SCHEMBL29691639 0.77 CYP11B1 (0.86) VCPCYP11B1CYP11B2MAPTKDM4E
SCHEMBL940946 0.76 FBP1 (0.63) VCPTLR4TLR2FBP1MAPT
SCHEMBL940945 0.76 FBP1 (0.63) VCPTLR4TLR2FBP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019609-A Biomass-based modified hydrophobic electron conducting polymer gel material and preparation method and application thereof 陕西科技大学 2024-11-26 CN claimed
CN-117534792-A Super-hydrophobic intelligent response ion and electron conductive flexible electronic gel and preparation method and application thereof 陕西科技大学 2024-02-09 CN claimed
CN-119019609-A Biomass-based modified hydrophobic electron conducting polymer gel material and preparation method and application thereof 陕西科技大学 2024-11-26 CN disclosed
CN-117534792-A Super-hydrophobic intelligent response ion and electron conductive flexible electronic gel and preparation method and application thereof 陕西科技大学 2024-02-09 CN disclosed