SCHEMBL8337626

SCHEMBL8337626

CNC(=O)/C(=N\OC)c1ccccc1COc1ncc(C(=O)OC)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.45
SCN9A Q15858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRA5 P31644 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8337628 1.00 HIF1A (0.45) HIF1ASCN9ATDP1GABRA5P2RY12
SCHEMBL8343054 0.92 HIF1A (0.46) HIF1ASCN9AALDH1A1MRGPRX4TP53
SCHEMBL8343050 0.92 HIF1A (0.46) HIF1ASCN9AALDH1A1MRGPRX4TP53
SCHEMBL8338519 0.92 HIF1A (0.42) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL8338523 0.92 HIF1A (0.42) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL16705532 0.91 HIF1A (0.48) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL8437980 0.91 HIF1A (0.37) HIF1ASCN9ATDP1GABRA5P2RY12
SCHEMBL7521311 0.91 HIF1A (0.45) HIF1ASCN9AALDH1A1MRGPRX4TP53
SCHEMBL7521316 0.91 HIF1A (0.45) HIF1ASCN9AALDH1A1MRGPRX4TP53
SCHEMBL8339378 0.90 HIF1A (0.42) HIF1ASCN9ATDP1P2RY12ALDH1A1

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