Questiomycin B

Questiomycin B

SCHEMBL29164263

C1=CC2=CC=C1C2.Nc1ccccc1O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 6/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 4/20 0.36
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPC1 O15118 1/20 0.36

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
Questiomycin B SCHEMBL3999786 0.79 ALOX15 (1.00) ALOX15TSHRALDH1A1HSD17B10MAPT
Questiomycin B SCHEMBL24436 0.79
Questiomycin B SCHEMBL29430322 0.79
Questiomycin B SCHEMBL29077530 0.77 ALOX15 (0.83) ALOX15TSHRALDH1A1HSD17B10MAPT
SCHEMBL18612812 0.77 ALOX15 (0.94) ALOX15TSHRALDH1A1HSD17B10MAPT
Questiomycin B SCHEMBL3887270 0.77
Questiomycin B SCHEMBL11273511 0.77
Questiomycin B SCHEMBL31112025 0.77
Questiomycin B SCHEMBL11412866 0.77
Questiomycin B SCHEMBL4747619 0.77 ALOX15 (0.94) ALOX15TSHRALDH1A1HSD17B10MAPT

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
CN-112961891-B Method for preparing icariin by using biphasic enzymatic reaction 西安巨子生物基因技术股份有限公司 2024-01-26 CN disclosed