SCHEMBL11674316

SCHEMBL11674316

O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Br)CS[C@H]12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.81
▸ TDP1 Q9NUW8 5/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.44
▸ NAPEPLD Q6IQ20 1/20 0.44
▸ NR1I2 O75469 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42

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
SCHEMBL11674319 1.00 PLCG1 (0.81) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL8766580 0.91 PLCG1 (0.83) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28528206 0.91 PLCG1 (0.83) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL8766584 0.91 PLCG1 (0.83) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL7771463 0.90 PLCG1 (0.67) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL10779487 0.90 PLCG1 (0.67) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11130980 0.90 PLCG1 (0.67) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL9152111 0.90 PLCG1 (0.67) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL10412277 0.90 PLCG1 (1.00) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11512916 0.90 PLCG1 (0.81) PLCG1TDP1L3MBTL1ALDH1A1MAPK1

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 3 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
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