SCHEMBL4980430

SCHEMBL4980430

CC(=O)c1ccsc1C#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 4/20 0.34
RECQL P46063 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NR4A1 P22736 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 5/20 0.34
GAA P10253 3/20 0.34
MAPK8 P45983 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5610085 0.82 PTK2 (0.38) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL3250677 0.80 ALDH1A1 (0.59) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL10636222 0.80 KMT2A (0.35) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL17837166 0.79 POLB (0.49) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14744096 0.76 MAPT (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL31321120 0.72 POLB (0.41) PTK2MAPTALDH1A1KMT2APOLB
SCHEMBL28523684 0.72 ALDH1A1 (0.35) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL30238017 0.72 PTK2 (0.42) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL4556834 0.70 PRNP (0.45) PTK2MAPTALDH1A1MEN1KMT2A
SCHEMBL1286667 0.70

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-112313229-A Substituted aminothiazoles as inhibitors of nucleases 马萨里克大学 2021-02-02 CN disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed