SCHEMBL4380188

SCHEMBL4380188

CC(C)(C)OC(=O)NC(I)(C=O)Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL2822627 0.82 CTSS (0.47) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2705972 0.78 NPC1 (0.45) CTSSCTSKLMNAALDH1A1SMN1; SMN2
SCHEMBL6509929 0.75 KCNN4 (0.42) CTSSCTSKTSHRLMNAPPARG
SCHEMBL31456961 0.74 CTSS (0.56) CTSSCTSKTSHRLMNAPPARG
SCHEMBL6285264 0.74 CTSS (0.56) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2825910 0.72 CTSK (0.60) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2825914 0.72 CTSK (0.60) CTSSCTSKTSHRLMNAPPARG
SCHEMBL5729170 0.72 CTSS (0.54) CTSSCTSKTSHRLMNAPPARG
SCHEMBL10774088 0.72 CTSS (0.51) CTSSCTSKTSHRLMNAPPARG
SCHEMBL18198086 0.72 CTSS (0.54) CTSSCTSKTSHRLMNAPPARG

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-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed