SCHEMBL8763549

SCHEMBL8763549

NC(C(=O)O)c1csnn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
GRM1 Q13255 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
Hydrochloric Acid SCHEMBL10788742 0.98 ALDH1A1 (0.33) ALDH1A1ATML3MBTL1KDM4EMEN1
SCHEMBL11095009 0.84 ALDH1A1 (0.34) ALDH1A1ATML3MBTL1KDM4EKMT2A
SCHEMBL11095006 0.82 ALDH1A1 (0.33) ALDH1A1ATML3MBTL1KMT2AHPGD
SCHEMBL8761691 0.82 ALDH1A1 (0.37) ALDH1A1ATML3MBTL1KMT2AHPGD
SCHEMBL27583635 0.78 KMT2A (0.41) ALDH1A1ATML3MBTL1KDM4EMEN1
SCHEMBL5847084 0.76 ALDH1A1 (0.34) ALDH1A1ATML3MBTL1MEN1KMT2A
SCHEMBL9531309 0.72 ALDH1A1 (0.37) ALDH1A1ATML3MBTL1KDM4EKMT2A
SCHEMBL28095620 0.71 ALDH1A1 (0.37) ALDH1A1ATML3MBTL1KDM4EKMT2A
SCHEMBL1626189 0.68 CYP1A2 (0.50) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL5518789 0.68 HSD17B10 (0.35) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560365-B1 Cephalosporin derivative MEIJI SEIKA KAISHA (JP) 1997-09-24 EP disclosed
EP-0590681-B1 A process for the preparation of aminothiadiazolylacetyl halide derivatives EISAI KAGAKU KK (JP) 1997-07-09 EP disclosed
US-5607927-A ANTIBIOTIC BACTERICIDE MEIJI SEIKA KAISHA, LTD. (JP) 1997-03-04 US disclosed
US-5464829-A Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1995-11-07 US disclosed
US-5428173-A Halogenating corresponding aminothiadiazolylacetic acid EISAI CHEMICAL CO., LTD. (JP) 1995-06-27 US disclosed
EP-0605836-A1 Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1994-07-13 EP disclosed
EP-0590681-A2 A process for the preparation of aminothiadiazolylacetyl halide derivatives EISAI CHEMICAL CO., LTD. (JP) 1994-04-06 EP disclosed
EP-0560365-A1 Cephalosporin derivative MEIJI SEIKA KAISHA LTD. (JP) 1993-09-15 EP disclosed
US-4626535-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed