SCHEMBL8339378

SCHEMBL8339378

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.42
TDP1 Q9NUW8 2/20 0.39
MRGPRX4 Q96LA9 4/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN9A Q15858 2/20 0.35
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL8339379 1.00 HIF1A (0.42) HIF1ATDP1MRGPRX4ALDH1A1MAPK1
SCHEMBL8337626 0.90 HIF1A (0.45) HIF1ATDP1MRGPRX4ALDH1A1MAPK1
SCHEMBL8337628 0.90 HIF1A (0.45) HIF1ATDP1MRGPRX4ALDH1A1MAPK1
SCHEMBL16705532 0.88 HIF1A (0.48) HIF1ATDP1ALDH1A1MAPK1SCN9A
SCHEMBL8370605 0.86 HIF1A (0.50) HIF1ATDP1MRGPRX4ALDH1A1SCN9A
SCHEMBL8370602 0.86 HIF1A (0.50) HIF1ATDP1MRGPRX4ALDH1A1SCN9A
SCHEMBL8343050 0.86 HIF1A (0.46) HIF1AMRGPRX4ALDH1A1SCN9ANPC1
SCHEMBL8343054 0.86 HIF1A (0.46) HIF1AMRGPRX4ALDH1A1SCN9ANPC1
SCHEMBL8338519 0.85 HIF1A (0.42) HIF1ATDP1ALDH1A1MAPK1SCN9A
SCHEMBL8338523 0.85 HIF1A (0.42) HIF1ATDP1ALDH1A1MAPK1SCN9A

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