SCHEMBL7080136

SCHEMBL7080136

CC(=O)O/N=C(/C(=O)Cl)c1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 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 3/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1I2 O75469 2/20 0.35
PGR P06401 1/20 0.35
PTGS2 P35354 1/20 0.35
ALB P02768 1/20 0.35
PPARG P37231 1/20 0.35
SLC22A6 Q4U2R8 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
SCHEMBL1405906 1.00 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1405905 1.00 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1405849 0.99 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6133351 0.99 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1405847 0.99 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1406079 0.87 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28605613 0.87 MAPT (0.46) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1406081 0.87 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5847024 0.87 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Water SCHEMBL5174360 0.86 MAPT (0.46) 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-0973779-B1 CRYSTALLINE AMINE SALT OF CEFDINIR BIOCHEMIE GMBH (AT) 2003-07-02 EP disclosed
US-6350869-B1 PURIFICATION OF ANTIBIOTIC COMPOUND BY SALT FORMATION OF DICYCLOHEXYLAMINE BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2002-02-26 US disclosed
US-5665888-A CEPHALOSPORIN INTERMEDIATES EISAI CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
US-5650518-A Protected aminothiazolylacetic acid derivatives EISAI CHEMICAL CO., LTD. (JP) 1997-07-22 US disclosed
US-5631378-A CHEMICAL CONDENSATION OF AMINOTHIAZOLYLACETIC ACID WITH HALOGENATED METHYLENE DIALKYLAMMONIUM HALIDE BY DEHYDROHALOGENATION EISAI CHEMICAL CO., LTD. (JP) 1997-05-20 US disclosed
EP-0675116-A1 Protected aminothiazolylacetic acid derivatives EISAI CHEMICAL CO., LTD. (JP) 1995-10-04 EP disclosed