SCHEMBL11101003

SCHEMBL11101003

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=C(O)CS[C@H]2C(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)N12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 1/20 0.42
▸ SPOP O43791 1/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRA P10827 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PDE1C Q14123 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL11104711 0.93 PLCG1 (0.67) PLCG1L3MBTL1SPOPNAPEPLDMAPT
SCHEMBL11575527 0.93 PLCG1 (0.67) PLCG1L3MBTL1SPOPNAPEPLDMAPT
SCHEMBL11100411 0.88 PLCG1 (0.59) PLCG1L3MBTL1HTTSPOPMAPT
SCHEMBL11101773 0.85 PLCG1 (0.66) PLCG1L3MBTL1HTTNAPEPLDMAPT
SCHEMBL11305923 0.85 PLCG1 (0.66) PLCG1L3MBTL1HTTNAPEPLDMAPT
SCHEMBL28528206 0.84 PLCG1 (0.83) PLCG1L3MBTL1HTTNAPEPLDMAPT
SCHEMBL8766580 0.84 PLCG1 (0.83) PLCG1L3MBTL1HTTNAPEPLDMAPT
SCHEMBL8766584 0.84 PLCG1 (0.83) PLCG1L3MBTL1HTTNAPEPLDMAPT
SCHEMBL11098923 0.84 PLCG1 (0.61) PLCG1L3MBTL1NAPEPLDMAPTMEN1
SCHEMBL11654441 0.83 PLCG1 (0.81) PLCG1L3MBTL1MAPTMEN1KMT2A

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
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — US disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
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