SCHEMBL24671017

SCHEMBL24671017

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C4=CCNCC4)c(F)c3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.42
NPY2R P49146 1/20 0.41
WDR5 P61964 1/20 0.40
CHRM1 P11229 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MAPT P10636 6/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL24670246 0.88 NAMPT (0.47) L3MBTL1USP30NPY2RWDR5CHRM1
SCHEMBL24669396 0.88 NAMPT (0.47) L3MBTL1USP30NPY2RWDR5CHRM1
SCHEMBL29803242 0.86 MAPKAPK2 (0.47) L3MBTL1WDR5CHRM1CCNT1CDK9
SCHEMBL29803687 0.86 MAPKAPK2 (0.47) L3MBTL1WDR5CHRM1CCNT1CDK9
SCHEMBL24670910 0.86 MAPKAPK2 (0.47) L3MBTL1WDR5CHRM1CCNT1CDK9
SCHEMBL24670180 0.86 HDAC1 (0.42) CCNT1CDK9MAPK14NPC1NAMPT
SCHEMBL24671575 0.84 MAPT (0.42) L3MBTL1NPY2RWDR5F13A1TGM2
SCHEMBL24671474 0.83 WNT3A (0.45) F13A1TGM2TGM1CCNT1CDK9
SCHEMBL24670908 0.82 NAMPT (0.46) L3MBTL1USP30NPY2RWDR5CHRM1
SCHEMBL29804024 0.81 CCNT1 (0.51) CCNT1CDK9NPC1LMNANAMPT

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-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