SCHEMBL24891995

SCHEMBL24891995

Cc1cc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c(C)cc1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 2/20 0.55
FPR2 P25090 2/20 0.55
NAMPT P43490 2/20 0.52
MAPT P10636 8/20 0.49
TDP1 Q9NUW8 6/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
XBP1 P17861 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDH1 O75874 1/20 0.44
PTGES O14684 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL23898926 0.94 NAMPT (0.57) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL24891759 0.91 NAMPT (0.53) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL30182363 0.91 NAMPT (0.53) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL24670224 0.88 NAMPT (0.65) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL24891860 0.88 NAMPT (0.65) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL30182158 0.85 NAMPT (0.58) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL24891917 0.85 NAMPT (0.58) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL23898942 0.84 HDAC1 (0.56) NAMPTMAPTTDP1HDAC1HDAC6
SCHEMBL81094 0.83 FPR3 (0.58) FPR3FPR2NAMPTMAPTTDP1
SCHEMBL24891826 0.82 NAMPT (0.58) FPR3FPR2NAMPTMAPTTDP1

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 disclosed
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