SCHEMBL24670293

SCHEMBL24670293

O=C(Nc1ccc(Br)nc1)c1ccc(Br)c(F)c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 17/20 0.60
KCNQ2 O43526 17/20 0.60
KCNE1 P15382 10/20 0.58
KCNQ1 P51787 10/20 0.58
KCNQ5 Q9NR82 3/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL24669338 0.84 MAOB (0.70) KCNQ3KCNQ2KCNE1KCNQ1MAOB
SCHEMBL29803408 0.84 MAOB (0.70) KCNQ3KCNQ2KCNE1KCNQ1MAOB
SCHEMBL24670922 0.81 TP53 (0.63) MAOB
SCHEMBL24671569 0.81 MAOB (0.46) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3227445 0.80 P4HTM (0.67) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24671323 0.80 MAOB (0.65) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL24669484 0.78 MAOB (0.59) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL24670851 0.77 MAOB (0.59) KCNQ3KCNQ2KCNE1KCNQ1MAOB
SCHEMBL24670043 0.77 MAPT (0.77) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL29803287 0.77 MAOB (0.59) KCNQ3KCNQ2KCNE1KCNQ1MAOB

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