SCHEMBL5520404

SCHEMBL5520404

CC(C)c1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL13542807 0.82 NPC1 (0.38) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL12332822 0.79 ALDH1A1 (0.49) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8042786 0.77 MAPT (0.37) MAPTALDH1A1POLBSMN1; SMN2
Isopropylamine SCHEMBL10821400 0.77 ALDH1A1 (0.50) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL975710 0.77 MAPT (0.60) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL9644143 0.74 PKM (0.40) ALDH1A1HPGDTSHRPOLBSMN1; SMN2
SCHEMBL6137459 0.74 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL1778181 0.74 ALDH1A1 (0.55) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL9643819 0.74 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL2478102 0.74 ALDH1A1 (0.55) ALDH1A1HPGDTSHRPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP disclosed