SCHEMBL25819996

SCHEMBL25819996

COC(=O)C1CCN(I)C(C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL22068553 0.80 TP53 (0.47) TP53SMN1; SMN2POLBGAAALDH1A1
SCHEMBL16688562 0.80 TP53 (0.47) TP53SMN1; SMN2POLBGAAALDH1A1
SCHEMBL16701867 0.77 TP53 (0.45) TP53SMN1; SMN2POLBGAATSHR
SCHEMBL16119875 0.75 TP53 (0.58) TP53SMN1; SMN2POLBGAATSHR
SCHEMBL26537652 0.72 TP53 (0.41) TP53SMN1; SMN2POLBGAAALDH1A1
SCHEMBL24927983 0.71 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL21679124 0.71 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL31368141 0.71 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL14157186 0.71 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL16681413 0.71 SMN1; SMN2 (0.43) TP53SMN1; SMN2KMT2ANPC1RAB9A

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-2023131868-A1 HETEROCYCLIC INHIBITORS OF GLUT9 FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-07-13 WO disclosed