SCHEMBL24670229

SCHEMBL24670229

CCc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
MAPT P10636 7/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
XBP1 P17861 1/20 0.46
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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 0.87 MAOB (0.70) MAOBMAPTPTGDR2RAB9ANPC1
SCHEMBL29803408 0.87 MAOB (0.70) MAOBMAPTPTGDR2RAB9ANPC1
SCHEMBL24670851 0.83 MAOB (0.59) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL29803287 0.83 MAOB (0.59) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL24671323 0.82 MAOB (0.65) MAOBMAPTRAB9ANPC1NPSR1
SCHEMBL24671538 0.82 MAPT (0.58) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL24670922 0.81 TP53 (0.63) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL24670043 0.80 MAPT (0.77) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL29803768 0.80 MAPT (0.77) MAOBMAPTRAB9ANPC1MEN1
SCHEMBL24670735 0.80 MAOB (0.62) MAOBMAPTPTGDR2RAB9ANPC1

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-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
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