SCHEMBL24891705

SCHEMBL24891705

CN(C(=O)c1ccc(C(=O)Nc2ccc(C3=CCN(C(=N)N)CC3)cc2)cc1)c1ccc(CNC(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.43
TMPRSS2 O15393 4/20 0.41
F7 P08709 1/20 0.39
TNF P01375 2/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
BTK Q06187 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24891666 1.00 NAMPT (0.43) NAMPTTMPRSS2F7TNFNOD2
SCHEMBL24891885 0.91 TMPRSS2 (0.45) NAMPTTMPRSS2BTKKDM4EALDH1A1
SCHEMBL24669387 0.91 TMPRSS2 (0.45) NAMPTTMPRSS2BTKKDM4EALDH1A1
SCHEMBL30181321 0.84 TMPRSS2 (0.46) NAMPTTMPRSS2ALDH1A1
SCHEMBL24668995 0.83 NAMPT (0.46) NAMPTTMPRSS2ALDH1A1
SCHEMBL30181076 0.83 TMPRSS2 (0.42) NAMPTTMPRSS2ALDH1A1
SCHEMBL24891978 0.83 TMPRSS2 (0.42) NAMPTTMPRSS2ALDH1A1
SCHEMBL30181035 0.83 NAMPT (0.43) NAMPTTMPRSS2BTKALDH1A1
SCHEMBL24892250 0.83 PRKAA2 (0.40) NAMPTTMPRSS2KDM4EALDH1A1
SCHEMBL24891807 0.83 PRKAA2 (0.40) NAMPTTMPRSS2KDM4EALDH1A1

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 2 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 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