SCHEMBL28501470

SCHEMBL28501470

C=C(C)C(=O)N(C)c1ccc(Br)cc1I

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
STAT3 P40763 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
LMNA P02545 2/20 0.32
FSCN1 Q16658 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
TYRO3 Q06418 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL28356743 0.83 ALDH1A1 (0.36) ALDH1A1STAT3NCEH1LMNAFSCN1
SCHEMBL28498687 0.83 FSCN1 (0.33) ALDH1A1FSCN1RAB9A
SCHEMBL28492096 0.81 HTT (0.33) FSCN1MAPT
SCHEMBL28490898 0.81 FSCN1 (0.49) ALDH1A1FSCN1MAPTMEN1KMT2A
SCHEMBL28497420 0.79 MAPT (0.41) ALDH1A1LMNARAB9AMAPTCYP1A2
SCHEMBL31223908 0.78 XDH (0.33) ALDH1A1NCEH1LMNACYP1A2MEN1
SCHEMBL28499201 0.78 GAA (0.35) ALDH1A1
SCHEMBL28147704 0.78 POLB (0.32) ALDH1A1STAT3NCEH1PDGFRACDK5
SCHEMBL28499158 0.77 GAA (0.36) ALDH1A1MAPT
SCHEMBL29131831 0.77 CA1 (0.41) ALDH1A1LMNARAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483364-B Indolone sulfone compound and synthesis method thereof 台州学院 2020-12-25 CN claimed
CN-115650980-A Oxindole compound and preparation method and application thereof 江西师范大学 2023-01-31 CN disclosed
CN-114105978-A Oxindole compound and preparation method and application thereof 江西师范大学 2022-03-01 CN disclosed
CN-110483364-B Indolone sulfone compound and synthesis method thereof 台州学院 2020-12-25 CN disclosed