SCHEMBL28399641

SCHEMBL28399641

O=P(OCl)(Oc1ccccc1Cl)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL3238053 0.91 NPSR1 (0.50) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL17720334 0.82 LMNA (0.49) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL17722765 0.81 LMNA (0.47) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL19366492 0.81 LMNA (0.47) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3238689 0.81 LMNA (0.62) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1377763 0.81 LMNA (0.62) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7772943 0.79 NPSR1 (0.42) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL17720348 0.79 LMNA (0.49) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL2035293 0.75 LMNA (0.69) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28790808 0.74 LMNA (0.59) LMNASMN1; SMN2MEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051325-B Spirothiocyclobutane nucleosides 詹森药业有限公司 2023-05-16 CN disclosed
CN-111051325-A Spirothiacyclobutanenucleosides 詹森药业有限公司 2020-04-21 CN disclosed