SCHEMBL28822929

SCHEMBL28822929

Cc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CFTR P13569 1/20 0.43

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
SCHEMBL28478473 0.87 MAOA (0.52) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28478476 0.87 MAOA (0.52) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL29387676 0.85 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28323810 0.84 NFE2L2 (0.59) ALDH1A1HPGDKDM4ENPC1MEN1
SCHEMBL28822896 0.84 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28469596 0.83 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28822927 0.82 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28822897 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28477761 0.76 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL28477760 0.76 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9ANPC1

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
CN-110372630-B Stilbene analogue containing phenylthiazole structure and synthesis method and application thereof 浙江工业大学 2022-08-19 CN disclosed
CN-110367265-B Application of stilbene analogue containing phenylthiazole structure as bactericide 浙江工业大学 2022-02-15 CN disclosed