SCHEMBL28575151

SCHEMBL28575151

CCC(=O)Nc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.69
MAPT P10636 7/20 0.66
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 5/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
TDP1 Q9NUW8 3/20 0.61
NPY5R Q15761 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MAPK1 P28482 2/20 0.59
NAMPT P43490 1/20 0.58
LMNA P02545 3/20 0.57
ROCK1 Q13464 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GFER P55789 1/20 0.55
USP2 O75604 1/20 0.54
AMY1A P0DUB6 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL28583306 0.89 NPC1 (0.69) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28575303 0.88 MAPT (0.66) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28575173 0.88 MAPT (0.66) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28594556 0.88 CSNK2A1 (0.67) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL14085826 0.87 KMT2A (0.74) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL28579111 0.87 MAPT (0.59) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28575126 0.87 ALOX5 (0.64) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28583757 0.86 ALOX5 (0.77) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28573059 0.86 NAMPT (0.61) ALOX5MAPTGAASMN1; SMN2RAB9A
SCHEMBL28584177 0.83 ALOX5 (0.69) ALOX5MAPTGAASMN1; SMN2RAB9A

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-113004219-A Thiazole ring-containing amide compound and preparation method and application thereof 贵州大学 2021-06-22 CN disclosed