SCHEMBL28908960

SCHEMBL28908960

Fc1ccc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.62
ALOX5 P09917 1/20 0.57
NPY5R Q15761 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MPL P40238 4/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
VCP P55072 2/20 0.52
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
AMY1A P0DUB6 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL19851004 0.90 AGER (0.70) AGERALOX5NPY5RNPC1RAB9A
SCHEMBL31126441 0.85 VCP (0.72) ALOX5NPY5RNPC1RAB9AMPL
SCHEMBL206171 0.84 ALOX5 (0.60) AGERALOX5NPC1RAB9AMEN1
SCHEMBL29276772 0.84 AGER (0.75) AGERALOX5NPY5RNPC1RAB9A
SCHEMBL208205 0.82 AGER (0.59) AGERALOX5NPC1RAB9AMEN1
SCHEMBL31126428 0.82 ALOX5 (0.78) ALOX5NPY5RNPC1RAB9AMEN1
SCHEMBL205404 0.81 VCP (0.65) AGERALOX5NPC1RAB9AMEN1
SCHEMBL205146 0.80 AGER (0.65) AGERALOX5NPC1RAB9AMEN1
SCHEMBL5026675 0.80 ALOX5 (0.64) ALOX5NPY5RNPC1RAB9AMEN1
SCHEMBL31126438 0.80 ALOX5 (0.64) ALOX5NPY5RNPC1RAB9AMEN1

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-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-115124487-A Preparation method and application of arylimino thiazole compounds 华东理工大学 2022-09-30 CN disclosed