SCHEMBL24671240

SCHEMBL24671240

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)c(C(F)(F)F)c3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.46
TRPV1 Q8NER1 10/20 0.45
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40

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
SCHEMBL29802859 1.00 TMPRSS2 (0.46) TMPRSS2TRPV1KCNQ3KCNQ2KCNE1
SCHEMBL29802958 0.96 TRPV1 (0.47) TMPRSS2TRPV1
SCHEMBL29803214 0.91 TMPRSS2 (0.52) TMPRSS2TRPV1KCNQ3KCNQ2
SCHEMBL24670599 0.91 TRPV1 (0.45) TMPRSS2TRPV1
SCHEMBL29803204 0.89 TMPRSS2 (0.52) TMPRSS2TRPV1
SCHEMBL24671270 0.89 TMPRSS2 (0.52) TMPRSS2TRPV1
SCHEMBL24669447 0.88 TMPRSS2 (0.48) TMPRSS2
SCHEMBL24670643 0.87 TMPRSS2 (0.52) TMPRSS2TRPV1
SCHEMBL24669468 0.87 TMPRSS2 (0.52) TMPRSS2TRPV1
SCHEMBL29802861 0.87 TMPRSS2 (0.52) TMPRSS2TRPV1

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