SCHEMBL8067971

SCHEMBL8067971

[NH]C(=O)c1cnccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KDM4C Q9H3R0 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KDM6B O15054 1/20 0.52
KDM4A O75164 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
SIRT3 Q9NTG7 2/20 0.46
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36

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
SCHEMBL11098872 0.83 KDM4C (0.61) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL244632 0.81 KDM4C (0.70) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL220890 0.81 KDM4C (0.70) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL30785801 0.81 KDM4C (0.70) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL310266 0.81 TDP1 (0.62) KDM4EKDM4CALDH1A1TDP1MEN1
Water SCHEMBL11483542 0.79 TDP1 (0.60) KDM4EKDM4CALDH1A1TDP1MEN1
Ammonia Solution, Strong SCHEMBL11786496 0.79 KDM4C (0.68) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL21166692 0.79 KDM4E (0.52) KDM4EKDM4CALDH1A1TDP1MEN1
Ammonia Solution, Strong SCHEMBL11786508 0.79 KDM4C (0.68) KDM4EKDM4CALDH1A1TDP1MEN1
SCHEMBL9469391 0.79 KDM4E (0.52) KDM4EKDM4CALDH1A1TDP1MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565351-B1 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters LILLY CO ELI (US) 2000-08-23 EP disclosed
EP-0494118-B1 Process for 3-exomethylenecepham sulfoxide esters LILLY CO ELI (US) 1997-04-09 EP disclosed
US-5512454-A Enzymatic acylation of 3-hydroxymethyl cephalosporins BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-30 US disclosed
EP-0667396-A1 Enzymatic acylation of 3-hydroxymethyl cephalosporins BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-16 EP disclosed
US-5350845-A Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1994-09-27 US disclosed
EP-0611770-A2 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1994-08-24 EP disclosed
EP-0565351-A2 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1993-10-13 EP disclosed
US-5221739-A Acetylation of 3-hydroxymethyl cephalosporins ELI LILLY AND COMPANY (US) 1993-06-22 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0511002-A2 C-3 phosphine oxide substituted carbacephalosporins ELI LILLY AND COMPANY (US) 1992-10-28 EP disclosed
US-5126446-A Cyclization of 3-methyl-2-(4-chlorosulfinyl-2-oxo-3-amino-1-azetidinyl)-3-butenoic acid esters using lewis acid friedel-crafts catalyst, nitro compound, anhydrous conditions ELI LILLY AND COMPANY (US) 1992-06-30 US disclosed
US-5099015-A Antibiotics formed by bromination of trifluoromethanesulfonyl containing cephalosporins ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-5084568-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1992-01-28 US disclosed
US-5084447-A Antibiotics as bactericides ELI LILLY AND COMPANY (US) 1992-01-28 US disclosed
US-5013854-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1991-05-07 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4885291-A 1-carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-12-05 US disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed