SCHEMBL29803480

SCHEMBL29803480

Cc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc2c(c1)CNCC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
MELK Q14680 6/20 0.53
FLT3 P36888 2/20 0.45
USP28 Q96RU2 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
MYLK Q15746 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
NAMPT P43490 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2 P17301 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL29803784 0.96 SLC2A1 (0.49) SLC2A1MELKFLT3USP28CAMK2G
SCHEMBL29803664 0.95 SLC2A1 (0.47) SLC2A1MELKUSP28F2PLG
Trifluoroacetic Acid SCHEMBL29803665 0.90 MELK (0.45) SLC2A1MELKFLT3USP28CAMK2G
SCHEMBL29803659 0.87 SLC2A1 (0.70) SLC2A1MELKF2PLGPLAU
SCHEMBL29803699 0.84 MAPKAPK2 (0.44) SLC2A1MELKFLT3CAMK2GCAMK2D
SCHEMBL24671286 0.82 CCNT1 (0.42) SLC2A1NAMPTMAPKAPK2
SCHEMBL29803786 0.82 CCNT1 (0.42) SLC2A1NAMPTMAPKAPK2
SCHEMBL29803671 0.82 SLC2A1 (0.61) SLC2A1MELKF2PLGPLAU
SCHEMBL24669402 0.82 SLC2A1 (0.61) SLC2A1MELKF2PLGPLAU
SCHEMBL29804007 0.81 MAPKAPK2 (0.46) F2PLGPLAUPLATKLKB1

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed