SCHEMBL24670802

SCHEMBL24670802

COc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
GRM4 Q14833 1/20 0.60
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAOB P27338 3/20 0.55
KDM4E B2RXH2 4/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
STAT1 P42224 1/20 0.53
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
STAT3 P40763 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL24671107 0.85 MAPT (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL29803936 0.85 MAPT (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL24670914 0.85 HTR1D (0.65) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL24671458 0.85 ABCB1 (0.63) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL29803730 0.84 GRM4 (0.56) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL24669380 0.84 GRM4 (0.56) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL24670265 0.83 GRM4 (0.55) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL24670737 0.82 HTR1D (0.61) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL29803389 0.82 HTR1D (0.61) MAPTGRM4NPC1RAB9AMEN1
SCHEMBL24670187 0.82 MAPT (0.72) MAPTNPC1RAB9AMEN1KMT2A

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