Cinnamonitrile

Cinnamonitrile

SCHEMBL28232227

N#C/C=C/c1ccccc1.Nc1ccccc1C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ GAA P10253 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MCL1 Q07820 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ HNF4A P41235 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ BCHE P06276 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
Cinnamonitrile SCHEMBL28232229 1.00 MAPT (0.59) MAPTGAAMMP2MCL1PTPN1
Anthranilic Acid SCHEMBL7609536 0.79 ALDH1A1 (0.62) MAPTGAAMMP2MCL1ALDH1A1
Anthranilic Acid SCHEMBL28896360 0.79 ALDH1A1 (0.62) MAPTGAAMMP2MCL1ALDH1A1
Cinnamic Acid SCHEMBL11837253 0.79 MAPT (0.75) MAPTGAAMMP2ALDH1A1PKM
Cinnamic Acid SCHEMBL11837266 0.79 MAPT (0.75) MAPTGAAMMP2ALDH1A1PKM
Anthranilic Acid SCHEMBL8425423 0.77 MAPT (0.59) MAPTGAAMMP2MCL1ALDH1A1
Anthranilic Acid SCHEMBL2953168 0.77 ALDH1A1 (0.65) MAPTGAAMMP2MCL1ALDH1A1
Cinnamonitrile SCHEMBL23599 0.77 KDM4E (0.54) MAPTMCL1ENPP2ALDH1A1KDM4E
Anthranilic Acid SCHEMBL3110791 0.77 ALDH1A1 (0.65) MAPTGAAMMP2MCL1ALDH1A1
Anthranilic Acid SCHEMBL675 0.77 ALDH1A1 (0.65) MAPTGAAMMP2MCL1ALDH1A1

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-105494341-B A kind of compounding bird repellent containing cinnamonitrile and methyl anthranilate 安徽省农业科学院植物保护与农产品质量安全研究所 2018-08-17 — — CN disclosed
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