SCHEMBL11330163

SCHEMBL11330163

O=CN[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CS[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.61
▸ SPOP O43791 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL11330160 1.00 PLCG1 (0.61) PLCG1SPOPALDH1A1KDM4EMAPT
SCHEMBL11098923 0.90 PLCG1 (0.61) PLCG1ALDH1A1KDM4EMAPTTDP1
SCHEMBL11673833 0.89 PLCG1 (0.65) PLCG1SPOPALDH1A1KDM4EMAPT
SCHEMBL11673831 0.89 PLCG1 (0.65) PLCG1SPOPALDH1A1KDM4EMAPT
SCHEMBL11674265 0.88 PLCG1 (0.59) PLCG1ALDH1A1KDM4EMAPTTDP1
SCHEMBL10790176 0.88 PLCG1 (0.66) PLCG1SPOPALDH1A1KDM4EMAPT
SCHEMBL10790178 0.88 PLCG1 (0.66) PLCG1SPOPALDH1A1KDM4EMAPT
SCHEMBL11674261 0.88 PLCG1 (0.59) PLCG1ALDH1A1KDM4EMAPTTDP1
SCHEMBL11321281 0.87 PLCG1 (0.53) PLCG1ALDH1A1MAPTTDP1HPGD
SCHEMBL11321279 0.87 PLCG1 (0.53) PLCG1ALDH1A1MAPTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281117-A Process for 3-chloro cephalosporin nucleus ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
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