SCHEMBL8624994

SCHEMBL8624994

CO/C=C(/C(=O)OC)c1ccccc1CO/N=C(/C)c1nn(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KDR P35968 2/20 0.36
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HIF1A Q16665 1/20 0.33
SLC22A2 O15244 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8622190 0.90 HIF1A (0.33) KDM4EKDRALDH1A1HIF1A
SCHEMBL8624971 0.85 HIF1A (0.36) KDM4EKDRHTR3AHIF1A
SCHEMBL5257827 0.85 HIF1A (0.36) KDM4EKDRHTR3AHIF1A
SCHEMBL9056021 0.82 HIF1A (0.38) HIF1A
SCHEMBL8624613 0.81 PLA2G1B (0.38) ALDH1A1MAPK1HIF1A
SCHEMBL18292032 0.80 HIF1A (0.39) ALDH1A1HIF1A
SCHEMBL8624045 0.79
SCHEMBL19199357 0.77 HIF1A (0.36) ALDH1A1HIF1A
SCHEMBL9743087 0.77 PTGS2 (0.39) ALDH1A1HIF1A
SCHEMBL9056334 0.76 HIF1A (0.37) KDM4EALDH1A1HIF1A

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
EP-0844993-A2 PESTICIDAL INDAZOLE DERIVATIVES Novartis AG (CH) 1998-06-03 EP disclosed
WO-1997007103-A2 PESTICIDAL INDAZOLE DERIVATIVES NOVARTIS AG (CH) 1997-02-27 WO disclosed