SCHEMBL8316629

SCHEMBL8316629

O=C(C=Cc1c[nH]c2ccccc12)NC1CCNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL1306613 0.73 MEN1 (0.64) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1306609 0.73 MEN1 (0.64) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17529413 0.73 MEN1 (0.68) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11879889 0.73 MEN1 (0.68) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8316926 0.72 NFE2L2 (0.52) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8315616 0.72 MAPT (0.52) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL8314705 0.72 RAB9A (0.55) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL13923635 0.72 KMT2A (0.62) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8311160 0.71 RAB9A (0.53) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL15486687 0.70 MEN1 (0.77) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP disclosed
US-5153201-A Inhibitors of lipoperoxide and lipoxygenase; antiischemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP disclosed