SCHEMBL6658073

SCHEMBL6658073

Fc1ccc(-c2ccc3ncsc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.60
AKT1 P31749 1/20 0.53
PIK3CA P42336 1/20 0.53
MTOR P42345 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
APP P05067 1/20 0.52
VRK1 Q99986 1/20 0.50
MAPK14 Q16539 1/20 0.48
TGFBR1 P36897 5/20 0.47
KDM4E B2RXH2 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RIPK1 Q13546 1/20 0.46
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAP4K4 O95819 1/20 0.44
MEN1 O00255 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
SCHEMBL31214345 0.88 DYRK1A (0.72) DYRK1AAKT1PIK3CAMTORNPC1
SCHEMBL1671036 0.84 NPC1 (0.54) DYRK1AAKT1PIK3CAMTORNPC1
SCHEMBL18042122 0.84 DYRK1A (0.48) DYRK1AAKT1PIK3CAMTORNPC1
SCHEMBL6032917 0.83 DYRK1A (0.62) DYRK1APIK3CANPC1RAB9AAPP
Ammonia Solution, Strong SCHEMBL28327531 0.82 NPC1 (0.53) DYRK1AAKT1PIK3CAMTORNPC1
SCHEMBL24155396 0.81 DYRK1A (0.60) DYRK1AAKT1PIK3CAMTORNPC1
SCHEMBL16573976 0.81 DYRK1A (0.60) DYRK1ANPC1RAB9AAPPVRK1
SCHEMBL22130152 0.81 DYRK1A (0.70) DYRK1APIK3CANPC1RAB9AAPP
SCHEMBL27558183 0.81 DYRK1A (0.60) DYRK1ANPC1RAB9AAPPVRK1
Hydrazine SCHEMBL27557475 0.81 NPC1 (0.51) DYRK1AAKT1PIK3CAMTORNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004010761-A2 PESTICIDAL CYANINE DYE DERIVATIVES FMC CORPORATION (US) 2004-02-05 WO disclosed