SCHEMBL29176166

SCHEMBL29176166

COC(=O)CNc1cc(Cl)ccc1S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 7/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8431600 0.80 ABL1 (0.54) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL8047377 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL8541903 0.78 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL11125709 0.74 STAT3 (0.49) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5121422 0.73 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL27989802 0.71 KDM4E (0.57) KMT2AMEN1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL5772856 0.71 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL7593370 0.71 MEN1 (0.51) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL1417236 0.70 POLB (0.48) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL29512022 0.70 POLB (0.48) KMT2AMEN1ALDH1A1POLBLMNA

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-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 claimed
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