SCHEMBL7829189

SCHEMBL7829189

O=C(O)CCCCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL7829186 1.00 KMT2A (0.66) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL7827940 0.95 KMT2A (0.72) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL7827937 0.95 KMT2A (0.72) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL27896475 0.89 LMNA (0.66) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL7822412 0.89 ALDH1A1 (0.65) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL7822408 0.89 ALDH1A1 (0.65) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL27543049 0.84 ALDH1A1 (0.70) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL22279488 0.83 KMT2A (0.66) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL3057351 0.83 LMNA (0.55) KMT2AL3MBTL1SMN1; SMN2MEN1PKM
SCHEMBL3057356 0.83 LMNA (0.55) KMT2AL3MBTL1SMN1; SMN2MEN1PKM

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