SCHEMBL29131669

SCHEMBL29131669

O=[N+]([O-])c1sc2cccc([N+](=O)[O-])c2c1-c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.51
APP P05067 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ILK Q13418 2/20 0.45
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL28541260 0.79 MMP13 (0.53) MMP13APPMMP2MMP9MMP8
SCHEMBL3053833 0.76 APP (0.60) MMP13APPMMP2MMP9MMP8
SCHEMBL8931202 0.75 APP (0.55) MMP13APPMMP2MMP9MMP8
SCHEMBL5976385 0.74 RAB9A (0.56) MMP13APPMMP2MMP9MMP8
SCHEMBL18280700 0.72 APP (0.70) MMP13APPMMP2MMP9MMP8
SCHEMBL14234138 0.71 APP (0.53) MMP13APPMMP2MMP9MMP8
SCHEMBL11008435 0.71 KDM4E (0.58) MMP13APPMMP2MMP9MMP8
SCHEMBL1666128 0.70 APP (0.68) MMP13APPMMP2MMP9MMP8
Sulfurous Acid SCHEMBL27325827 0.70 APP (0.49) MMP13APPMMP2MMP9MMP8
SCHEMBL3713250 0.70 APP (0.49) MMP13APPMMP2MMP9MMP8

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
CN-117186510-A Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-12-08 CN disclosed
CN-117186509-A Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-12-08 CN disclosed
CN-112533991-B Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-10-17 CN disclosed