SCHEMBL7820388

SCHEMBL7820388

O=C(O)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ GAA P10253 4/20 0.64
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ PKM P14618 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HDAC1 Q13547 1/20 0.55
▸ POLB P06746 2/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ TP53 P04637 3/20 0.54
▸ KCNMA1 Q12791 1/20 0.54
▸ SIRT6 Q8N6T7 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TSHR P16473 1/20 0.53

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
SCHEMBL13219807 0.84 MAPT (0.80) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL13401359 0.77 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL13219539 0.76 KCNMA1 (0.79) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL6635707 0.73 SMN1; SMN2 (0.69) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL23011784 0.72 PKM (0.68) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL22983097 0.70 PKM (0.66) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL23011777 0.70 PKM (0.79) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL13219574 0.70 MAPT (1.00) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL16179844 0.70 SIRT6 (1.00) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL23011774 0.70 ALDH1A1 (0.84) KMT2AMEN1MAPTSMN1; SMN2RAB9A

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
Send feedback