SCHEMBL24671575

SCHEMBL24671575

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C4=CCNCC4)cc3F)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
THRB P10828 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NPY2R P49146 2/20 0.39
POLB P06746 1/20 0.39
WDR5 P61964 1/20 0.39
PTPN11 Q06124 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
SCHEMBL24669557 0.88 NAMPT (0.51) MAPTTP53KMT2ASMN1; SMN2MAPK1
SCHEMBL29803673 0.88 NAMPT (0.51) MAPTTP53KMT2ASMN1; SMN2MAPK1
SCHEMBL24671574 0.86 MAPKAPK2 (0.52) MAPTKMT2ASMN1; SMN2MAPK1HTT
SCHEMBL29803320 0.86 MAPKAPK2 (0.52) MAPTKMT2ASMN1; SMN2MAPK1HTT
SCHEMBL24671017 0.84 L3MBTL1 (0.42) MAPTTP53KMT2ASMN1; SMN2MAPK1
SCHEMBL24670862 0.81 MAPT (0.46) MAPTTP53SMN1; SMN2THRBNPY2R
SCHEMBL29803281 0.81 NAMPT (0.49) MAPTTP53KMT2ASMN1; SMN2L3MBTL1
SCHEMBL29803668 0.81 NAMPT (0.49) MAPTTP53KMT2ASMN1; SMN2MAPK1
SCHEMBL24669288 0.81 NAMPT (0.49) MAPTTP53KMT2ASMN1; SMN2MAPK1
SCHEMBL24669305 0.81 KDM4E (0.48) MAPTSMN1; SMN2ALDH1A1L3MBTL1MAPKAPK2

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