SCHEMBL23130237

SCHEMBL23130237

N/C=C\C=C(/N)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 9/20 0.37
▸ HSD17B10 Q99714 7/20 0.37
▸ CFTR P13569 1/20 0.37
▸ TSHR P16473 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ FADS1 O60427 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL22667899 0.79 MAPT (0.43) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL23129863 0.78 MAOA (0.36) MAPTGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL8497588 0.68 ALOX15 (0.50) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL12655816 0.67 ALDH1A1 (0.40) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL23440116 0.65 F2 (0.48) GAAALDH1A1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL2494996 0.65 ALOX15 (0.53) MAPTGAAALDH1A1HSD17B10CFTR
Anthranilamide SCHEMBL38228 0.64 HSD17B10 (0.58) MAPTGAAALDH1A1HSD17B10CFTR
Anthranilamide SCHEMBL2801971 0.64 HSD17B10 (0.58) MAPTGAAALDH1A1HSD17B10CFTR
SCHEMBL165079 0.64 MAPT (0.46) MAPTGAAALDH1A1HSD17B10CFTR
Anthranilamide SCHEMBL7655669 0.64 HSD17B10 (0.58) MAPTGAAALDH1A1HSD17B10CFTR

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
WO-2021064530-A1 DICARBOXYLIC ACID COMPOUNDS. INORGANIC PARTICLES TREATED WITH THE DICARBOXYLIC ACID COMPOUNDS, AND COMPOSITIONS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-04-08 — — WO disclosed
EP-3795619-A1 BENZYL (METH)ACRYLATE MONOMERS SUITABLE FOR MICROSTRUCTURED OPTICAL FILMS 3M Innovative Properties Co. (US) 2021-03-24 — — EP disclosed
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