SCHEMBL11575527

SCHEMBL11575527

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=C(O)CS[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ SPOP O43791 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NAPEPLD Q6IQ20 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
SCHEMBL11104711 1.00 PLCG1 (0.67) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11101003 0.93 PLCG1 (0.60) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11100411 0.92 PLCG1 (0.59) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11654441 0.91 PLCG1 (0.81) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11097617 0.91 PLCG1 (0.81) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL8766584 0.90 PLCG1 (0.83) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL28528206 0.90 PLCG1 (0.83) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL8766580 0.90 PLCG1 (0.83) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11305923 0.88 PLCG1 (0.66) PLCG1MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL11101773 0.88 PLCG1 (0.66) PLCG1MAPTL3MBTL1ALDH1A1TDP1

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-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 — — US disclosed
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