SCHEMBL29176175

SCHEMBL29176175

NCC(=O)Oc1ccc(S)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 2/20 0.40
HIF1A Q16665 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.37
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
RAB9A P51151 1/20 0.34
CYP19A1 P11511 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
SCHEMBL11151702 0.81 KMT2A (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL561023 0.81 KMT2A (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL11773507 0.81 KMT2A (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL9638536 0.80 KMT2A (0.50) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL5328134 0.79 KMT2A (0.44) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL2927179 0.79 KMT2A (0.47) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL7911559 0.79 KMT2A (0.63) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL5842867 0.79 LMNA (0.56) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL2592352 0.79 LMNA (0.57) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL2790323 0.79 KMT2A (0.51) KMT2ALMNAALDH1A1MAPTHTT

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-117720479-A Preparation method of 2-substituted benzothiazole compound 西安向阳航天材料股份有限公司 2024-03-19 CN disclosed