SCHEMBL30181068

SCHEMBL30181068

Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)cc3)cc2)ccc1CNC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.49
BTK Q06187 2/20 0.41
NAMPT P43490 8/20 0.41
NR1H4 Q96RI1 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 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
SCHEMBL24891895 1.00 TMPRSS2 (0.49) TMPRSS2BTKNAMPTNR1H4GAA
SCHEMBL24669387 0.86 TMPRSS2 (0.45) TMPRSS2BTKNAMPT
SCHEMBL24891885 0.86 TMPRSS2 (0.45) TMPRSS2BTKNAMPT
SCHEMBL30181059 0.85 TMPRSS2 (0.48) TMPRSS2NAMPT
SCHEMBL30181321 0.84 TMPRSS2 (0.46) TMPRSS2NAMPT
SCHEMBL29802915 0.84 TMPRSS2 (0.49) TMPRSS2BTKNAMPT
SCHEMBL24891978 0.84 TMPRSS2 (0.42) TMPRSS2NAMPT
SCHEMBL30181076 0.84 TMPRSS2 (0.42) TMPRSS2NAMPT
SCHEMBL24667821 0.83 TMPRSS2 (0.54) TMPRSS2NAMPT
SCHEMBL24670665 0.81 TMPRSS2 (0.54) TMPRSS2NAMPTGAANPSR1

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 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