SCHEMBL30997394

SCHEMBL30997394

CCCCCC(=O)Nc1nc(C)c(-c2ccc(OC)c(NS(N)(=O)=O)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 10/20 0.59
MEN1 O00255 9/20 0.57
MAPT P10636 9/20 0.57
KMT2A Q03164 9/20 0.57
ALDH1A1 P00352 7/20 0.57
HPGD P15428 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 4/20 0.57
CFTR P13569 1/20 0.57

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
SCHEMBL30792155 1.00 PI4KB (0.59) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL30997409 0.94 PI4KB (0.62) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL29180148 0.91 PI4KB (0.51) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL30997422 0.90 PI4KB (0.64) PI4KB
SCHEMBL30792220 0.86 PI4KB (0.60) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL30997426 0.85 PI4KB (0.61) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL30997404 0.85 PI4KB (0.49) PI4KBMEN1MAPTKMT2AALDH1A1
SCHEMBL30792253 0.84 PI4KB (0.61) PI4KB
SCHEMBL30792278 0.81 PI4KB (0.63) PI4KB
SCHEMBL29265057 0.80 PI4KB (0.64) PI4KB

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
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 CN claimed
CN-118221610-A Phenylthiazole amine PI4KIII beta/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 CN disclosed