SCHEMBL4084696

SCHEMBL4084696

CC1(C)COC(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.CCN(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
AR P10275 2/20 0.45
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4080394 0.89 RAB9A (0.57) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4077393 0.77 MAPT (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4087581 0.76 AR (0.52) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4077609 0.75 MAPT (0.52) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4076674 0.75 MAPT (0.52) RAB9ANPC1MEN1KMT2AAR
SCHEMBL3977547 0.75 MEN1 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4075018 0.75 SMN1; SMN2 (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4075308 0.75 MEN1 (0.50) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4078198 0.73 AR (0.54) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4077640 0.73 MEN1 (0.38) RAB9ANPC1MEN1KMT2APOLB

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-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed