SCHEMBL8801032

SCHEMBL8801032

COC(=O)Oc1sc2nc(C)ccc2c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
LIMK1 P53667 1/20 0.56
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP28 Q96RU2 8/20 0.43
USP25 Q9UHP3 8/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TLR9 Q9NR96 2/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5228558 0.78 LIMK1 (0.54) IKBKBLIMK1MAPTALDH1A1NPSR1
SCHEMBL8558549 0.77 IKBKB (0.71) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL8801339 0.74 IKBKB (0.57) IKBKBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11102626 0.73 IKBKB (0.64) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL19212039 0.72 LIMK1 (0.77) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL29707312 0.72 LIMK1 (0.77) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL16071461 0.72 IKBKB (1.00) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL12562427 0.72 LIMK1 (0.77) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL8801403 0.71 BACE1 (0.38) IKBKBLIMK1MAPTNPC1RAB9A
SCHEMBL9255600 0.71 KDM4E (0.59) IKBKBLIMK1MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed