SCHEMBL30181035

SCHEMBL30181035

N=C(N)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)cn3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.43
EGLN1 Q9GZT9 2/20 0.40
TMPRSS2 O15393 2/20 0.39
ALDH1A1 P00352 1/20 0.38
BTK Q06187 2/20 0.38

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
SCHEMBL24891672 1.00 NAMPT (0.43) NAMPTEGLN1TMPRSS2ALDH1A1BTK
SCHEMBL24891675 0.92 NAMPT (0.44) NAMPTEGLN1TMPRSS2ALDH1A1
SCHEMBL24891885 0.91 TMPRSS2 (0.45) NAMPTTMPRSS2ALDH1A1BTK
SCHEMBL24669387 0.91 TMPRSS2 (0.45) NAMPTTMPRSS2ALDH1A1BTK
SCHEMBL30180909 0.88 TMPRSS2 (0.39) NAMPTEGLN1TMPRSS2ALDH1A1BTK
SCHEMBL24892250 0.88 PRKAA2 (0.40) NAMPTEGLN1TMPRSS2ALDH1A1
SCHEMBL24891807 0.88 PRKAA2 (0.40) NAMPTEGLN1TMPRSS2ALDH1A1
SCHEMBL24669641 0.86 EGLN1 (0.41) NAMPTEGLN1ALDH1A1
SCHEMBL30180918 0.85 TMPRSS2 (0.40) NAMPTTMPRSS2BTK
SCHEMBL24671535 0.85 TMPRSS2 (0.39) NAMPTEGLN1TMPRSS2ALDH1A1

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