SCHEMBL7813288

SCHEMBL7813288

O=C(O)CN1CC(=O)N(c2ccccc2)C1=S

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ENPP2 Q13822 2/20 0.48
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11774454 0.85 KMT2A (0.51) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL10784216 0.84 KMT2A (0.75) KMT2AMEN1L3MBTL1GAALMNA
SCHEMBL9069776 0.81 KMT2A (0.53) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL9069777 0.81 KMT2A (0.48) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL6032861 0.81 KMT2A (0.63) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL11690550 0.79 KMT2A (0.51) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL11523299 0.75 KMT2A (0.47) KMT2AMEN1L3MBTL1ENPP2GAA
SCHEMBL1685398 0.74 KMT2A (0.56) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL13813277 0.73 KMT2A (0.45) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL15743871 0.73 KMT2A (0.49) KMT2AMEN1L3MBTL1GAASMN1; SMN2

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed