SCHEMBL7983149

SCHEMBL7983149

Cn1ccnc1CCSC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 1/20 0.46
CNR2 P34972 1/20 0.41
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
FDPS P14324 2/20 0.38
POLB P06746 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8721775 0.93 KMT2A (0.40) KMT2AMEN1CNR2RAB9ANPC1
SCHEMBL10952972 0.78 KMT2A (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL21299964 0.75 NAMPT (0.55) KMT2AMEN1RAB9ANPC1ALDH1A1
Benzoic Acid SCHEMBL2518954 0.74 KMT2A (0.50) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL11445146 0.71 FDPS (0.42) KMT2AMEN1CNR2FDPS
SCHEMBL5680237 0.71 NOS1 (0.52) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL16047247 0.71 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL6397506 0.71 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL693477 0.71 FNTA (0.47) KMT2AMEN1CNR2NPC1SMN1; SMN2
SCHEMBL3401058 0.71 KMT2A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed