SCHEMBL29601833

SCHEMBL29601833

NC(=O)c1ccncc1NC(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
KDM4C Q9H3R0 10/20 0.47
KDM4D Q6B0I6 6/20 0.47
KDM6B O15054 5/20 0.47
EGLN3 Q9H6Z9 1/20 0.44
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KDM4A O75164 2/20 0.42
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18422044 0.83 IRAK4 (0.50) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL29892972 0.81 KDM4C (0.52) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL4934772 0.81 IRAK4 (0.49) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL17711000 0.80 KDM4C (0.51) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL18421265 0.80 KDM4C (0.51) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL2015798 0.80 KDM4D (0.63) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL18421178 0.79 TSHR (0.49) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL17723987 0.79 KDM4C (0.71) IRAK4TDP1SIRT3KDM4CKDM4D
SCHEMBL16703189 0.78 GSK3B (0.53) IRAK4SIRT2MAPTGLAHTT
SCHEMBL20339713 0.78 KDM4C (0.57) IRAK4TDP1SIRT3KDM4CKDM4D

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-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed