SCHEMBL31333100

SCHEMBL31333100

FC(F)(F)Sn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 4/20 0.36
APP P05067 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
PTGS1 P23219 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL31333105 1.00 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL31333112 0.84 KDM4E (0.44) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL31333146 0.83 ACLY (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31333102 0.82 CYP19A1 (0.43) ALDH1A1PTGS1
SCHEMBL29188490 0.75 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL28268761 0.71 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL31333101 0.69 PTGS2 (0.38) ALDH1A1KDM4EHPGDHSD17B10PTGS1
SCHEMBL28148149 0.69 KMT2A (0.62) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL23791207 0.67 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL214075 0.67 KMT2A (1.00) KMT2AL3MBTL1ALDH1A1KDM4EHPGD

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-119264028-A 1-Trifluoromethylthio-indole Synthesis method of indole compound 江南大学 2025-01-07 CN disclosed