SCHEMBL9679696

SCHEMBL9679696

O=C=Nc1ccc(C(=O)O)c(N=C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
TRPA1 O75762 1/20 0.55
TDP1 Q9NUW8 4/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
PDE4A P27815 1/20 0.43
BLVRB P30043 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 2/20 0.39
APP P05067 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TSHR P16473 4/20 0.38
IDE P14735 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
Hydrochloric Acid SCHEMBL10392668 0.98 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL10392667 0.84 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL27983976 0.82 TRPA1 (0.47) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL3399265 0.80 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL8426373 0.79 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL1516761 0.77 CYP3A4 (0.42) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL16829602 0.77 CYP3A4 (0.42) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL8657719 0.77 KMT2A (0.42) CYP3A4TRPA1TDP1MAPK1MEN1
SCHEMBL10482366 0.77 CYP3A4 (0.43) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28418946 0.76 CYP3A4 (0.41) CYP3A4TRPA1TDP1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295410-B Method for producing polyamides by anionic ring-opening polymerization and polyamides produced therefrom 韩华化学株式会社 2022-11-22 CN disclosed
US-5124208-A Transparent laminate gel of acrylamide, curing agnet, alkanoic acid salt, polymerization catalyst, water ARTISTIC GLASS PRODUCTS (US) 1992-06-23 US disclosed
EP-0465442-A2 Fire resistant windows ARTISTIC GLASS PRODUCTS COMPANY (US) 1992-01-08 EP disclosed
US-5061748-A POLYACRYLAMIDE GEL CONTAINING ALKANOIC ACID SALT ARTISTIC GLASS PRODUCTS COMPANY (US) 1991-10-29 US disclosed
US-4421905-A METAL ACETYLACETONATE AS POLYMERIZATION CATALYSTS PLASTICS ENGINEERING COMPANY (US) 1983-12-20 US disclosed
EP-0007779-A1 Method of increasing the viscosity of a thermoset composition and shaped articles made from this composition ICI AMERICAS INC. (US) 1980-02-06 EP disclosed