SCHEMBL11672541

SCHEMBL11672541

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.63
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ TDP1 Q9NUW8 6/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ CYP3A4 P08684 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL11672539 1.00 PLCG1 (0.63) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11686937 0.91 PLCG1 (0.63) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11674265 0.90 PLCG1 (0.59) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11674261 0.90 PLCG1 (0.59) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11688751 0.88 PLCG1 (0.58) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11101773 0.88 PLCG1 (0.66) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11305923 0.88 PLCG1 (0.66) PLCG1CTDSP1TDP1PTGS1MAPT
SCHEMBL11672615 0.88 PLCG1 (0.79) PLCG1CTDSP1TDP1MAPTCYP3A4
SCHEMBL11672611 0.88 PLCG1 (0.79) PLCG1CTDSP1TDP1MAPTCYP3A4
SCHEMBL11673831 0.88 PLCG1 (0.65) PLCG1CTDSP1TDP1MAPTCYP3A4

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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