SCHEMBL27282972

SCHEMBL27282972

CC(C)C(=O)N1CCC(c2ccc(C(=O)O)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
GLA P06280 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NAMPT P43490 3/20 0.48
DGAT1 O75907 1/20 0.44
CCR1 P32246 8/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDE4B Q07343 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
TACR3 P29371 1/20 0.39

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
SCHEMBL27392629 0.85 KDM4E (0.64) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL10179413 0.85 KDM4E (0.68) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL24244905 0.82 KDM4E (0.68) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1585290 0.80 KDM4E (0.83) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL15379923 0.79 NAMPT (0.56) NAMPTDGAT1CCR1KCNH2HRH3
SCHEMBL10180063 0.79 GPR119 (0.59) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL13588778 0.77 KCNH2 (0.64) SMN1; SMN2NAMPTCCR1KCNH2HRH3
SCHEMBL14151857 0.77 KDM4E (0.97) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL19187763 0.76 NAMPT (0.59) SMN1; SMN2NAMPTCCR1TLR9TLR8
SCHEMBL19652150 0.75 CCR1 (0.70) NAMPTCCR1KCNH2

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-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed