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SCHEMBL8338523

SCHEMBL8338523

CNC(=O)C(=NOC)c1ccccc1COc1ncc(C(=O)OC(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.42
▸ P2RY12 Q9H244 1/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ SGMS2 Q8NHU3 3/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN5A Q14524 1/20 0.33

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
SCHEMBL8338519 1.00 HIF1A (0.42) HIF1AP2RY12SCN9ATDP1SGMS2
SCHEMBL8337628 0.92 HIF1A (0.45) HIF1AP2RY12SCN9ATDP1ALDH1A1
SCHEMBL8337626 0.92 HIF1A (0.45) HIF1AP2RY12SCN9ATDP1ALDH1A1
SCHEMBL8338515 0.90 HIF1A (0.42) HIF1AP2RY12SCN9ASGMS2
SCHEMBL8338517 0.90 HIF1A (0.42) HIF1AP2RY12SCN9ASGMS2
SCHEMBL8343054 0.88 HIF1A (0.46) HIF1ASCN9AALDH1A1
SCHEMBL8343050 0.88 HIF1A (0.46) HIF1ASCN9AALDH1A1
SCHEMBL8339047 0.87 HIF1A (0.42) HIF1ASGMS2
SCHEMBL8339046 0.87 HIF1A (0.42) HIF1ASGMS2
SCHEMBL16705532 0.87 HIF1A (0.48) HIF1AP2RY12SCN9ATDP1ALDH1A1

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-5968875-A FUNGICIDES FOR PLANTS DOW AGROSCIENCES LLC (US) 1999-10-19 — — US disclosed