SCHEMBL27362340

SCHEMBL27362340

CCCOCc1ccnn1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
PKM P14618 2/20 0.41
CTSK P43235 6/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 2/20 0.34
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27395115 0.81 SIGMAR1 (0.37) SIGMAR1PKMCTSKGAASMN1; SMN2
SCHEMBL16815601 0.73 PKM (0.41) PKMCTSKGAASMN1; SMN2BRD4
SCHEMBL22054797 0.73 GAA (0.41) PKMCTSKGAASMN1; SMN2ALDH1A1
SCHEMBL17881937 0.72 GAA (0.43) PKMCTSKGAASMN1; SMN2BRD4
SCHEMBL26690789 0.71 PIK3CD (0.41) PKMGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL16815947 0.71 PKM (0.43) PKMCTSKGAASMN1; SMN2BRD4
SCHEMBL26693295 0.71 PKM (0.43) PKMCTSKGAASMN1; SMN2BRD4
SCHEMBL15941867 0.69 TDP1 (0.54) PKMGAASMN1; SMN2BRD4ALDH1A1
SCHEMBL26869219 0.69 PKM (0.41) PKMCTSKGAASMN1; SMN2BRD4
SCHEMBL19703410 0.67 PDE4D (0.40) PKMGAASMN1; SMN2BRD4ALDH1A1

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