SCHEMBL6168541

SCHEMBL6168541

Cc1c(C(=O)O)ccn(-c2ccccn2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
TYK2 P29597 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MYC P01106 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 4/20 0.41
SLC11A2 P49281 2/20 0.41
ALKBH3 Q96Q83 1/20 0.41
ALKBH2 Q6NS38 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL30367555 0.81 TYK2 (0.50) TYK2SMN1; SMN2TSHRGAAPOLB
SCHEMBL4814573 0.81 TYK2 (0.50) TYK2SMN1; SMN2TSHRGAAPOLB
SCHEMBL8466158 0.75 SMN1; SMN2 (0.51) TYK2SMN1; SMN2TSHRGAAPOLB
SCHEMBL30174282 0.74 TSHR (0.41) TYK2SMN1; SMN2TSHRGAAPOLB
SCHEMBL15491426 0.73 ALDH1A1 (0.54) TYK2SMN1; SMN2TSHRGAAPOLB
SCHEMBL6531023 0.73 KMT2A (0.43) NOTUMSMN1; SMN2TSHRGAAALDH1A1
SCHEMBL4682760 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TSHRGAAPOLBPDCD1
SCHEMBL15491451 0.72 TSHR (0.46) NOTUMTYK2SMN1; SMN2TSHRGAA
SCHEMBL30174254 0.72 TSHR (0.46) SMN1; SMN2TSHRGAAPOLBKDM4E
SCHEMBL15506087 0.72 GAA (0.41) TYK2TSHRGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP claimed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US claimed
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP disclosed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US disclosed