SCHEMBL8057321

SCHEMBL8057321

Nc1nc(C(=NOCl)C(=O)Cl)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1I2 O75469 2/20 0.35
PGR P06401 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7027843 0.86 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8872097 0.86 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8895090 0.86 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5340165 0.85 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3135045 0.85 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3135041 0.85 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7080136 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1405906 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1405905 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1405847 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791597-B1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LAB LTD (IN) 2000-07-12 EP disclosed
US-5945532-A Method for manufacture of cephalosporin and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1999-08-31 US disclosed
US-5856502-A Method for manufacture of cephalosporin and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1999-01-05 US disclosed
US-5739346-A Dimethyl formiminium chloride chlorosulphate derivatives useful as intermediates for producing cephalosporins LUPIN LABORATORIES LIMITED (IN) 1998-04-14 US disclosed
EP-0791596-A1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1997-08-27 EP disclosed
EP-0791597-A1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1997-08-27 EP disclosed