SCHEMBL24671334

SCHEMBL24671334

N=C(N)NCc1ccc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.43
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NAMPT P43490 3/20 0.38
KLKB1 P03952 5/20 0.37
PLG P00747 3/20 0.37
PLAU P00749 3/20 0.37
PLAT P00750 3/20 0.37
PRSS1 P07477 3/20 0.37
F2 P00734 3/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL29802955 0.95 TMPRSS2 (0.45) TMPRSS2ITGB3ITGA2BNAMPTMAPT
SCHEMBL24671223 0.95 TMPRSS2 (0.45) TMPRSS2ITGB3ITGA2BNAMPTMAPT
SCHEMBL29803078 0.91 TMPRSS2 (0.42) TMPRSS2ITGB3ITGA2BNAMPTKLKB1
SCHEMBL24668998 0.91 TMPRSS2 (0.42) TMPRSS2ITGB3ITGA2BNAMPTKLKB1
SCHEMBL24669447 0.88 TMPRSS2 (0.48) TMPRSS2NAMPTKLKB1MAPTLMNA
SCHEMBL29803214 0.88 TMPRSS2 (0.52) TMPRSS2ITGB3ITGA2BNAMPTKLKB1
SCHEMBL30181071 0.87 MAPT (0.37) TMPRSS2NAMPTMAPTTP53LMNA
SCHEMBL30181059 0.87 TMPRSS2 (0.48) TMPRSS2ITGB3ITGA2BNAMPTPLAU
SCHEMBL24669387 0.86 TMPRSS2 (0.45) TMPRSS2NAMPTF2MAPT
SCHEMBL24891885 0.86 TMPRSS2 (0.45) TMPRSS2NAMPTF2MAPT

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