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SCHEMBL14439871

SCHEMBL14439871

CC(C)c1nc(COC(N)=O)n(Cc2ccc(C=O)cc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.33
▸ DCTPP1 Q9H773 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL14001658 0.91 P2RX3 (0.35) P2RX3MAPT
SCHEMBL6972846 0.90 P2RX3 (0.34) P2RX3MAPT
SCHEMBL13996465 0.90 P2RX3 (0.41) P2RX3LMNA
SCHEMBL6967638 0.89 TDP1 (0.39) P2RX3LMNAMAPTRECQL
Capravirine SCHEMBL40347 0.88 PIM1 (0.35) P2RX3LMNAMAPTHTT
Capravirine SCHEMBL4656686 0.88 PIM1 (0.35) P2RX3LMNAMAPTHTT
SCHEMBL14439866 0.87 L3MBTL1 (0.38) LMNAMAPTHTT
SCHEMBL14439868 0.86 DCTPP1 (0.34) P2RX3DCTPP1
SCHEMBL6962868 0.85 P2RX3 (0.35) P2RX3HTT
SCHEMBL14001815 0.85 ENPP1 (0.33) P2RX3RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed