SCHEMBL30182258

SCHEMBL30182258

O=C(Nc1ccc(C2=CCNCC2)cc1)c1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.60
MELK Q14680 4/20 0.59
NAMPT P43490 1/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
MAPKAPK2 P49137 1/20 0.49
ITGB3 P05106 1/20 0.45
ITGA2 P17301 1/20 0.45

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
SCHEMBL24891957 1.00 SLC2A1 (0.60) SLC2A1MELKNAMPTF2PLG
SCHEMBL24669402 0.99 SLC2A1 (0.61) SLC2A1MELKNAMPTF2PLG
SCHEMBL29803671 0.99 SLC2A1 (0.61) SLC2A1MELKNAMPTF2PLG
SCHEMBL29803659 0.93 SLC2A1 (0.70) SLC2A1MELKNAMPTF2PLG
SCHEMBL24670573 0.88 MAPKAPK2 (0.59) SLC2A1MELKNAMPTMAPKAPK2
SCHEMBL29803664 0.86 SLC2A1 (0.47) SLC2A1MELKNAMPTF2PLG
SCHEMBL29803392 0.84 MELK (0.56) SLC2A1MELKF2PLGPLAU
SCHEMBL29803274 0.81 ITGB3 (0.49) SLC2A1MELKF2PLGPLAU
SCHEMBL29803784 0.81 SLC2A1 (0.49) SLC2A1MELKNAMPTF2PLG
SCHEMBL29803480 0.81 SLC2A1 (0.54) SLC2A1MELKNAMPTF2PLG

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed