SCHEMBL4629140

SCHEMBL4629140

O=C1NC(=O)C(c2ccccc2)C(=S)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
CA2 P00918 2/20 0.43
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2B P41595 1/20 0.41
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 3/20 0.37
ALOX12 P18054 1/20 0.37
TOP2A P11388 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
SCHEMBL1639992 0.86 MAPT (0.48) CA2MAPTMAPK1LMNATP53
SCHEMBL17294198 0.84 MAPT (0.46) CA2MAPTMAPK1LMNATP53
SCHEMBL472475 0.78 MAPT (0.50) PTPN1CA2MAPTMAPK1LMNA
SCHEMBL19470370 0.74 MAPT (0.42) PTPN1CA2MAPTMAPK1LMNA
SCHEMBL11167420 0.73 MAPT (0.45) MAPTMAPK1LMNATP53CYP1A2
Aminobenzoic Acid SCHEMBL11699808 0.73 CES2 (0.43) CA2TP53USP2MEN1KMT2A
SCHEMBL6794976 0.70 MAOA (0.45) CA2MAPTMAPK1LMNATP53
SCHEMBL6380971 0.70 KDM1A (0.51) CA2
SCHEMBL6381012 0.69 KDM4E (0.48) MAPK1TP53MEN1KMT2AALDH1A1
SCHEMBL31579581 0.69 TSHR (0.46) CA2TP53ALDH1A1POLBDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1573000-B1 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
EP-1573000-A2 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2005-09-14 EP disclosed
US-20050037478-A1 Crystal structure of glutamate racemase (MurI) ASTRAZENECA AB (SE) 2005-02-17 US disclosed
WO-2004061097-A2 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2004-07-22 WO disclosed