SCHEMBL9056334

SCHEMBL9056334

CO/C=C(/C(=O)OC)c1ccccc1CO/N=C(/C)c1noc2cc(OC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.37
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9056852 0.93 HIF1A (0.37) HIF1ANR1H4
SCHEMBL9056404 0.90 HIF1A (0.35) HIF1ANR1H4ALDH1A1KDM4EHPGD
SCHEMBL9056410 0.90 HIF1A (0.35) HIF1ANR1H4ALDH1A1KDM4EHPGD
SCHEMBL9055642 0.90 NR1H4 (0.36) HIF1ANR1H4ALDH1A1MAPTKDM4E
SCHEMBL9055635 0.90 NR1H4 (0.36) HIF1ANR1H4ALDH1A1MAPTKDM4E
SCHEMBL9056021 0.89 HIF1A (0.38) HIF1A
SCHEMBL9057286 0.88 MAOB (0.39) HIF1ANR1H4
SCHEMBL8772695 0.88 MAOB (0.39) HIF1ANR1H4
SCHEMBL8772895 0.88 NR1H4 (0.32) HIF1ANR1H4
SCHEMBL9055753 0.86 HIF1A (0.42) 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