SCHEMBL2370063

SCHEMBL2370063

CC(C)(C)c1ccc(CCCOC(N)=O)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CTDSP1 Q9GZU7 2/20 0.36
MET P08581 4/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
PPARG P37231 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX1 P07099 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL286638 0.77 LMNA (0.54) LMNATNKS2NPC1RECQLRAB9A
SCHEMBL7658771 0.74 LMNA (0.69) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL439039 0.74 DGKA (0.50)
SCHEMBL3692999 0.73 LMNA (0.66) LMNACYP4F2CYP4A11AKR1B10AKR1B1
SCHEMBL16245538 0.73 LMNA (0.71) LMNAGAAALDH1A1MAPTNPC1
SCHEMBL27603021 0.73 LMNA (0.71) LMNAMETKDM4EALDH1A1AKR1B10
SCHEMBL669629 0.71 LMNA (0.59) LMNATNKS2ALDH1A1NPC1RAB9A
SCHEMBL28480435 0.71 LMNA (0.68) LMNACYP4F2CYP4A11ALDH1A1AKR1B10
Phenprobamate SCHEMBL134496 0.71 LMNA (1.00) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL28673196 0.70 LMNA (0.60) LMNAEPHX1

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-2547667-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE Takeda California, Inc. (US) 2013-01-23 EP disclosed
WO-2011115758-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE TAKEDA SAN DIEGO, INC. (US) 2011-09-22 WO disclosed