SCHEMBL4609640

SCHEMBL4609640

CN(C)CCn1nnnc1[S]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 14/20 0.36
DCUN1D1 Q96GG9 14/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.31
CYP27B1 O15528 1/20 0.31

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
SCHEMBL10402751 0.89 LMNA (0.33) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL13438298 0.78 MAPK1 (0.41) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL11771891 0.77
SCHEMBL912644 0.76 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL10989916 0.76 UBE2M (0.34) UBE2MDCUN1D1LMNAKMT2A
Hydrochloric Acid SCHEMBL9662206 0.74 DCUN1D1 (0.39) UBE2MDCUN1D1LMNAKMT2ACYP27B1
Ammonia Solution, Strong SCHEMBL10363130 0.74 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL18402647 0.74 DCUN1D1 (0.39) UBE2MDCUN1D1LMNAKMT2A
SCHEMBL7430903 0.74 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL9375491 0.74 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448393-B1 DEPROTECTING CARBOXYLIC ACID GROUP, DEHALOGENATING AND SULFIDING WITH HETEROARYL-THIO SUBSTITUTED COMPOUND PRODUCING 3-THIOMETHYLCEPHEM COMPOUNDS; CHEMICAL INTERMEDIATES TO ANTIBIOTICS, SUCH AS CEFAZOLIN AND CEFTRIAXONE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-09-10 US claimed
EP-1028118-A1 PROCESS FOR PRODUCING 3-CEPHEM COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-16 EP claimed
EP-0300546-B1 Process for the preparation of cephem compounds and cephalosporin derivatives GIST BROCADES NV (NL) 1995-08-09 EP claimed
US-4921954-A FROM SULFOXIDE INTERMEDIATE GIST-BROCADES N.V. (NL) 1990-05-01 US claimed
EP-0300546-A1 Process for the preparation of cephem compounds and cephalosporin derivatives GIST-BROCADES N.V. (NL) 1989-01-25 EP claimed
EP-0099580-B1 NEW 1-OXA-1-DETHIA-CEPHALOSPORIN DERIVATIVES MERCK & CO. INC. (US) 1987-10-14 EP claimed
US-4534898-A 1-Oxa-1-dethia-cephalosporin derivatives MERCK & CO., INC. (US) 1985-08-13 US claimed
EP-0121499-A2 Cephalosporins, their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-10 EP claimed
US-4464366-A Cephem compounds having a terminal aminocarboxylic acid grouping and containing an azacyclyl(thio)ureido group CIBA GEIGY CORPORATION (US) 1984-08-07 US claimed
EP-0099580-A1 New 1-oxa-1-dethia-cephalosporin derivatives MERCK & CO. INC. (US) 1984-02-01 EP claimed
US-4374134-A Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof CIBA-GEIGY CORPORATION (US) 1983-02-15 US claimed
EP-0059683-A2 7-Acylamido-3-cephem-4-carboxylic acids, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-09-08 EP claimed
EP-0000500-B1 CEPHALOSPRIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1982-04-28 EP claimed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US claimed
US-4286088-A Process for preparing 7-aminocephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-25 US claimed
EP-0031794-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-07-08 EP claimed
EP-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 EP claimed
EP-0016296-A1 Cephalosporin derivatives, process for their preparation, compositions containing them, and intermediates and their preparation CIBA-GEIGY AG (CH) 1980-10-01 EP claimed
EP-0003960-A1 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-19 EP claimed
EP-0000500-A2 Cephalosprin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-02-07 EP claimed