SCHEMBL11673833

SCHEMBL11673833

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.65
▸ ALDH1A1 P00352 6/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ HTT P42858 1/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ SPOP O43791 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 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
SCHEMBL11673831 1.00 PLCG1 (0.65) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL11101773 0.90 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL11672615 0.90 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL11305923 0.90 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL11672611 0.90 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL10790178 0.89 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL10790176 0.89 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1TDP1HTT
SCHEMBL11330160 0.89 PLCG1 (0.61) PLCG1ALDH1A1L3MBTL1TDP1CTDSP1
SCHEMBL11330163 0.89 PLCG1 (0.61) PLCG1ALDH1A1L3MBTL1TDP1CTDSP1
SCHEMBL11868041 0.88 PLCG1 (0.64) PLCG1ALDH1A1L3MBTL1TDP1HTT

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-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 — — US disclosed
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