SCHEMBL5299145

SCHEMBL5299145

NC(=O)c1cc2c(cn1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CHRNA7 P36544 1/20 0.47
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
SIRT6 Q8N6T7 2/20 0.40
OGA O60502 1/20 0.40
LCK P06239 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL29747107 0.89 CHEK2 (0.42) TSHRCHRNA7CHEK2SIRT6OGA
SCHEMBL31587136 0.84 CHRNA7 (0.41) TSHRCHRNA7CHEK1CHEK2NPC1
SCHEMBL1712176 0.83 CHRNA7 (0.45) TSHRCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL103632 0.81 CHRNA7 (0.47) TSHRCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL5917985 0.77 KDM4E (0.51) CHRNA7LCKNPC1RAB9ASMN1; SMN2
SCHEMBL18443469 0.74 BACE1 (0.39) TSHRCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL20270971 0.74 BACE1 (0.39) TSHRCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL5265516 0.74 GABRA1 (0.48) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1702268 0.73 SIRT6 (0.38) TSHRCHRNA7CHEK1CHEK2SIRT6
SCHEMBL2507415 0.73 CHRNA7 (0.41) TSHRCHRNA7OGANPC1RAB9A

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-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed