SCHEMBL6251406

SCHEMBL6251406

C#CCNc1nc2ccc(OCC(F)(F)F)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SRC P12931 2/20 0.45
DYRK1A Q13627 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6250112 0.85 DYRK1A (0.61) SCDSMN1; SMN2MAPTHSD17B10DYRK1A
Hydrochloric Acid SCHEMBL6834656 0.84 DYRK1A (0.60) SCDSMN1; SMN2MAPTHSD17B10DYRK1A
SCHEMBL9474671 0.74 CYP3A4 (0.67) SMN1; SMN2MAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL6254947 0.72 DYRK1A (0.60) SMN1; SMN2MAPTHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6253890 0.71 DYRK1A (0.59) SMN1; SMN2MAPTHPGDALDH1A1HSD17B10
SCHEMBL9776965 0.71 DYRK1A (0.65) SMN1; SMN2MAPTHPGDALDH1A1HSD17B10
SCHEMBL11011397 0.71 MAPT (0.59) SMN1; SMN2MAPTHPGDALDH1A1HSD17B10
SCHEMBL21682203 0.70 MAPT (0.61) SCDSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL7597159 0.70 NPC1 (0.56) SMN1; SMN2MAPTHPGDALDH1A1DYRK1A
SCHEMBL11191318 0.68 KMT2A (0.73) SMN1; SMN2MAPTHPGDALDH1A1HSD17B10

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-1569641-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES Teva Pharmaceutical Industries Limited (IL) 2005-09-07 EP disclosed
WO-2004047756-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-06-10 WO disclosed