SCHEMBL11673364

SCHEMBL11673364

CC(=O)OCC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)Cc3ccccc3)[C@H]2SC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.79
▸ TDP1 Q9NUW8 6/20 0.73
▸ CTDSP1 Q9GZU7 2/20 0.71
▸ MAPT P10636 6/20 0.57
▸ NR1I2 O75469 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ DNMT1 P26358 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ SLC22A11 Q9NSA0 1/20 0.57
▸ L3MBTL1 Q9Y468 5/20 0.57
▸ CYP3A4 P08684 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL11673368 1.00 PLCG1 (0.79) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11648862 0.93 PLCG1 (0.81) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11648858 0.93 PLCG1 (0.81) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11038661 0.93 TDP1 (0.84) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11038658 0.93 TDP1 (0.84) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11042191 0.92 PLCG1 (0.77) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11042193 0.92 PLCG1 (0.77) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL9623844 0.91 PLCG1 (0.80) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL9623847 0.91 PLCG1 (0.80) PLCG1TDP1CTDSP1MAPTNR1I2
SCHEMBL11038344 0.91 PLCG1 (0.66) PLCG1TDP1CTDSP1MAPTNR1I2

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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