SCHEMBL27364039

SCHEMBL27364039

CC(=O)c1cnn(Cc2cccc(C(=O)O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
POLB P06746 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.51
ALK Q9UM73 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.47
TAS2R8 Q9NYW2 2/20 0.46
KLKB1 P03952 2/20 0.46
FOLH1 Q04609 1/20 0.45
TSHR P16473 1/20 0.45
UCHL1 P09936 1/20 0.45

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
SCHEMBL13692389 0.86 L3MBTL1 (0.54) L3MBTL1POLBTDP1HTTALDH1A1
SCHEMBL19087151 0.85 POLB (0.71) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL19116359 0.84 TDP1 (0.70) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL2821286 0.84 MEN1 (0.60) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL30730185 0.83 POLB (0.62) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL27286142 0.83 HSD17B10 (0.68) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL19087148 0.83 POLB (0.68) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL15154988 0.82 L3MBTL1 (0.60) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL4017203 0.82 L3MBTL1 (0.60) L3MBTL1POLBTDP1HTTKDM4E
SCHEMBL13851465 0.82 TDP1 (1.00) L3MBTL1POLBTDP1HTTKDM4E

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-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed