SCHEMBL9056404

SCHEMBL9056404

C=CCOc1ccc2c(/C(C)=N\OCc3ccccc3/C(=C\OC)C(=O)OC)noc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.35
NR1H4 Q96RI1 1/20 0.35
MTNR1A P48039 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
ALDH2 P05091 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9056410 1.00 HIF1A (0.35) HIF1ANR1H4MTNR1AKDM4EALDH1A1
SCHEMBL9056334 0.90 HIF1A (0.37) HIF1ANR1H4KDM4EALDH1A1HPGD
SCHEMBL9055635 0.89 NR1H4 (0.36) HIF1ANR1H4MTNR1AKDM4EALDH1A1
SCHEMBL9055642 0.89 NR1H4 (0.36) HIF1ANR1H4MTNR1AKDM4EALDH1A1
SCHEMBL8772695 0.87 MAOB (0.39) HIF1ANR1H4MAOAMAOB
SCHEMBL9057286 0.87 MAOB (0.39) HIF1ANR1H4MAOAMAOB
SCHEMBL8772917 0.85 HIF1A (0.42) HIF1AMAOAMAOB
SCHEMBL9055753 0.85 HIF1A (0.42) HIF1AMAOAMAOB
SCHEMBL9057530 0.85 NR1H4 (0.37) HIF1ANR1H4
SCHEMBL9056021 0.85 HIF1A (0.38) HIF1A

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
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO claimed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO disclosed