SCHEMBL6209344

SCHEMBL6209344

CC(O)CNC(=S)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
QPCT Q16769 1/20 0.35
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6208095 1.00 MEN1 (0.50) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL940348 0.81 ALDH1A1 (0.43) KMT2ARAB9ANPC1ALDH1A1HTT
SCHEMBL24586981 0.75
SCHEMBL20529641 0.73 ALDH1A1 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL20529642 0.73 ALDH1A1 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL19997530 0.72 MEN1 (0.48) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL11504339 0.72 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL14489950 0.70 MEN1 (0.57) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL1276388 0.69 MEN1 (1.00) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL11311904 0.68 KMT2A (0.55) MEN1KMT2ARAB9ANPC1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed