SCHEMBL797745

SCHEMBL797745

Cc1nc(-c2cccc(Oc3ccc4c(c3)SN(C(=O)O)CCO4)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HPGD P15428 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL783038 0.89 LMNA (0.42) LMNARAB9AHTTNPC1TP53
SCHEMBL755478 0.80 LMNA (0.46) LMNARAB9AHTTNPC1TP53
SCHEMBL754385 0.78 L3MBTL1 (0.45) LMNARAB9AHTTNPC1TP53
SCHEMBL781929 0.73 LMNA (0.43) LMNARAB9AHTTNPC1TP53
SCHEMBL765579 0.71 LMNA (0.51) LMNARAB9AHTTNPC1TP53
SCHEMBL757397 0.70 RAB9A (0.46) LMNARAB9AHTTNPC1TP53
SCHEMBL783030 0.69 LMNA (0.65) LMNARAB9AHTTNPC1TP53
SCHEMBL7425441 0.68 L3MBTL1 (0.60) LMNARAB9AHTTNPC1TP53
SCHEMBL3839703 0.68 EPHX1 (0.63) RAB9ANPC1GAASMN1; SMN2TSHR
SCHEMBL5165370 0.66 L3MBTL1 (0.54) LMNARAB9AHTTNPC1TP53

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
WO-2012035216-A1 DIHYDROBENZOXATHIAZEPINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE AS AMPA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2012-03-22 WO disclosed