SCHEMBL29367251

SCHEMBL29367251

CC(C)CC(C)c1ccccc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 5/20 0.50
ALOX15 P16050 5/20 0.50
TSHR P16473 4/20 0.50
MAPK1 P28482 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALOX12 P18054 3/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 2/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8077563 0.87 MAPT (0.50) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL22772441 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL11810264 0.84 TSHR (0.50) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL31310572 0.82 MAPT (0.42) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL3337211 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL11129227 0.81 MAPT (0.41) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL15093601 0.80 TDP1 (0.51) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL21019024 0.79 L3MBTL1 (0.38) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL7979001 0.79 TDP1 (0.50) ALDH1A1HSD17B10ALOX15TSHRMAPK1
SCHEMBL11800992 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10ALOX15TSHRMAPK1

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-112174891-B Preparation method of penflufen metabolite 浙江省农业科学院 2022-02-01 CN disclosed