SCHEMBL30182527

SCHEMBL30182527

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.59
FPR3 P25089 1/20 0.52
FPR2 P25090 1/20 0.52
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPSR1 Q6W5P4 2/20 0.48
XBP1 P17861 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKAA2 P54646 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P4HTM Q9NXG6 4/20 0.46

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
SCHEMBL24891973 1.00 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL30182102 1.00 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL24891789 1.00 NAMPT (0.59) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL21661827 0.95 NAMPT (0.64) NAMPTMAPTTDP1HDAC1HDAC6
SCHEMBL30918897 0.95 NAMPT (0.64) NAMPTMAPTTDP1HDAC1HDAC6
SCHEMBL24891860 0.89 NAMPT (0.65) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL24670224 0.89 NAMPT (0.65) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL30182478 0.88 NAMPT (0.59) NAMPTMAPTTDP1HDAC1HDAC6
SCHEMBL30182282 0.88 NAMPT (0.52) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL24891767 0.87 NAMPT (0.58) NAMPTMAPTTDP1HDAC1HDAC6

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-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