SCHEMBL24892191

SCHEMBL24892191

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)c(Cl)c3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
TSHR P16473 1/20 0.60
NAMPT P43490 1/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.54
TP53 P04637 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.51
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL30182355 1.00 MAPT (0.60) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL24891763 0.90 MAPT (0.62) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL30182291 0.90 MAPT (0.62) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL29803251 0.87 MAPT (0.69) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL30182423 0.87 MAPT (0.69) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL24891654 0.85 NAMPT (0.67) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL24891905 0.84 RAB9A (0.48) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL30182547 0.84 RAB9A (0.48) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL24670700 0.83 MAPT (0.62) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL2455257 0.83 MAPT (0.64) MAPTKMT2ASMN1; SMN2MEN1TSHR

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