SCHEMBL24891798

SCHEMBL24891798

N=C(N)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)C4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.44
F2 P00734 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 7/20 0.39
NR1H4 Q96RI1 1/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
KLKB1 P03952 2/20 0.38
PRSS1 P07477 2/20 0.38
LMNA P02545 1/20 0.37
NOD1 Q9Y239 1/20 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
SCHEMBL24891885 0.91 TMPRSS2 (0.45) TMPRSS2F2SMN1; SMN2KDM4EMEN1
SCHEMBL24669387 0.91 TMPRSS2 (0.45) TMPRSS2F2SMN1; SMN2KDM4EMEN1
SCHEMBL24671556 0.90 NAMPT (0.42) TMPRSS2SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL24891800 0.90 TMPRSS2 (0.46) TMPRSS2F2SMN1; SMN2KDM4EMEN1
SCHEMBL30181035 0.83 NAMPT (0.43) TMPRSS2NAMPT
SCHEMBL24891666 0.83 NAMPT (0.43) TMPRSS2KDM4ENAMPTNOD1
SCHEMBL24891807 0.82 PRKAA2 (0.40) TMPRSS2KDM4ENPC1RAB9ANAMPT
SCHEMBL24892250 0.82 PRKAA2 (0.40) TMPRSS2KDM4ENPC1RAB9ANAMPT
SCHEMBL30181321 0.81 TMPRSS2 (0.46) TMPRSS2F2NPC1RAB9ANAMPT
SCHEMBL24670895 0.81 TMPRSS2 (0.44) TMPRSS2SMN1; SMN2MEN1NPC1RAB9A

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 3 patents. 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 claimed
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
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