SCHEMBL11674207

SCHEMBL11674207

O=C(CNc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CS[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41

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
SCHEMBL8664795 0.90 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL11512916 0.90 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL8664798 0.90 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL8664695 0.87 PLCG1 (0.67) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL8664694 0.87 PLCG1 (0.67) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL10790176 0.87 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL10790178 0.87 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL10983253 0.87 PLCG1 (0.58) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL11675068 0.86 PLCG1 (0.64) PLCG1ALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL11674640 0.86 PLCG1 (0.62) PLCG1ALDH1A1L3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 — — US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 — — US disclosed
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