SCHEMBL10990303

SCHEMBL10990303

NC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.65
▸ TDP1 Q9NUW8 7/20 0.56
▸ MAPT P10636 6/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PTPN7 P35236 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NAPEPLD Q6IQ20 1/20 0.55
▸ NR1I2 O75469 2/20 0.55

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
SCHEMBL10946002 1.00 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11304944 0.92 PLCG1 (0.67) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11098917 0.92 PLCG1 (0.67) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11304935 0.91 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11100125 0.91 PLCG1 (0.79) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11302146 0.91 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11654500 0.91 PLCG1 (0.79) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11311726 0.91 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11304937 0.91 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10
SCHEMBL11311729 0.91 PLCG1 (0.65) PLCG1TDP1MAPTHPGDHSD17B10

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-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 — — US disclosed
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