SCHEMBL5730603

SCHEMBL5730603

NC(=O)Oc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 3/20 0.61
▸ MAPT P10636 11/20 0.59
▸ KDM4E B2RXH2 9/20 0.59
▸ ALDH1A1 P00352 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ HPGD P15428 6/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ TLR9 Q9NR96 2/20 0.57
▸ HTR1A P08908 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ HTR6 P50406 1/20 0.56
▸ IKBKB O14920 1/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MTOR P42345 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ POLB P06746 2/20 0.46

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
SCHEMBL5731488 0.89 IKBKB (0.69) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL5729872 0.88 MEN1 (0.67) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL5733417 0.84 KMT2A (0.62) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL4194506 0.82 LIMK1 (0.82) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL6217262 0.80 MAPT (0.86) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL7496360 0.79 MAPT (0.84) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL5740675 0.79 MEN1 (0.56) LIMK1MAPTKDM4EALDH1A1MEN1
Lithium Ion SCHEMBL7496352 0.78 MAPT (0.82) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL5808461 0.78 MAPT (0.57) LIMK1MAPTKDM4EALDH1A1MEN1
SCHEMBL5742012 0.78 MEN1 (0.54) LIMK1MAPTKDM4EALDH1A1MEN1

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
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 — — EP disclosed
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