SCHEMBL24891759

SCHEMBL24891759

Cc1cc(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
MAPT P10636 6/20 0.52
TP53 P04637 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
FPR3 P25089 1/20 0.52
FPR2 P25090 1/20 0.52
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PPARG P37231 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL30182363 1.00 NAMPT (0.53) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL24891917 0.95 NAMPT (0.58) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL30182158 0.95 NAMPT (0.58) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL24891995 0.91 FPR3 (0.55) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL24670224 0.89 NAMPT (0.65) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL24891860 0.89 NAMPT (0.65) NAMPTMAPTTP53SMN1; SMN2FPR3
SCHEMBL30182509 0.88 NAMPT (0.56) NAMPTMAPTTP53SMN1; SMN2HDAC1
SCHEMBL24891974 0.88 NAMPT (0.56) NAMPTMAPTTP53SMN1; SMN2HDAC1
SCHEMBL24891782 0.87 NAMPT (0.55) NAMPTMAPTSMN1; SMN2FPR3FPR2
SCHEMBL30182354 0.87 NAMPT (0.55) NAMPTMAPTSMN1; SMN2FPR3FPR2

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