SCHEMBL31333112

SCHEMBL31333112

COc1ccc(-c2cc3ccccc3n2SC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31333100 0.84 KMT2A (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL31333105 0.84 KMT2A (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL31333102 0.76 CYP19A1 (0.43) ALDH1A1MAPTPTGS1PTGS2NPC1
SCHEMBL3690560 0.75 KMT2A (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL30444195 0.75 KMT2A (0.69) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL26670155 0.74 MAOA (0.59) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL11658854 0.71 GRIK2 (0.72) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL3980182 0.69 PDGFRB (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL11656381 0.69 KDM4E (0.58) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL31333146 0.69 ACLY (0.44) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

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