SCHEMBL28469596

SCHEMBL28469596

Cc1cccc(/C=C/c2nc(-c3c(F)cccc3F)cs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
PTGS1 P23219 5/20 0.39
PTGS2 P35354 5/20 0.39
ALOX5 P09917 1/20 0.39
RELA Q04206 3/20 0.38
NPC1 O15118 4/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL28469598 0.86 NFE2L2 (0.45) ALDH1A1KDM4EHPGDNPC1CASP3
SCHEMBL28475130 0.85 CASP3 (0.48) ALDH1A1KDM4EHPGDNPC1CASP3
SCHEMBL28465814 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDRELACASP3
SCHEMBL28475013 0.84 NFE2L2 (0.53) RELANPC1NFE2L2CYP1A2
SCHEMBL28245595 0.84 NFE2L2 (0.53) RELANPC1NFE2L2CYP1A2
SCHEMBL28822929 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDPTGS1PTGS2
SCHEMBL28481152 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDALOX5NPC1
SCHEMBL28471394 0.78 NFE2L2 (0.45) ALDH1A1KDM4EHPGDNPC1CASP3
SCHEMBL28465811 0.78 RELA (0.49) KDM4EHPGDRELANPC1RAB9A
SCHEMBL28478476 0.78 MAOA (0.52) ALDH1A1KDM4EHPGDPTGS2ALOX5

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-108727294-B Stilbene compound containing thiazole ring and synthesis method and application thereof 浙江工业大学 2022-03-01 CN disclosed
CN-108605949-B Application of stilbene compound containing thiazole ring as bactericide 浙江工业大学 2020-12-15 CN disclosed
CN-108863977-B Stilbene compound containing bromothiazole ring and synthesis method and application thereof 浙江工业大学 2020-09-22 CN disclosed