SCHEMBL28215461

SCHEMBL28215461

C(=Nc1ccccc1)=NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
HIF1A Q16665 1/20 0.48
MIF P14174 1/20 0.40
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.32
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL10453742 0.98 EPHX1 (0.52) EPHX1HIF1AMIFALDH1A1ALOX15
SCHEMBL2049503 0.88 EPHX1 (0.58) EPHX1HIF1AALDH1A1ALOX15
SCHEMBL20138305 0.85 EPHX1 (0.42) EPHX1HIF1AMIFALDH1A1
SCHEMBL1007488 0.79 EPHX1 (0.48) EPHX1HIF1AALDH1A1SLC18A3
SCHEMBL11161236 0.79 EPHX1 (0.48) EPHX1HIF1AALDH1A1
SCHEMBL29034361 0.79 MIF (0.33) MIF
Phenylisothiocyanate SCHEMBL19127809 0.78 MIF (0.59) EPHX1HIF1AMIFALDH1A1ALOX15
SCHEMBL10881036 0.78 ALDH1A1 (0.59) EPHX1HIF1AMIFALDH1A1ALOX15
SCHEMBL28423050 0.78 EPHX1 (0.42) EPHX1HIF1AALDH1A1
SCHEMBL1177299 0.77 EPHX1 (0.45) EPHX1HIF1AALDH1A1ALOX15SLC18A3

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
CN-108057460-B Application of disilylamine rare earth complex in catalyzing phosphine hydrogenation reaction of carbodiimide and diphenylphosphine 苏州大学 2020-07-14 CN disclosed
CN-108057460-A Application of disilylamine rare earth complex in catalyzing phosphine hydrogenation reaction of carbodiimide and diphenylphosphine 苏州大学 2018-05-22 CN disclosed