SCHEMBL29000784

SCHEMBL29000784

COC(=O)c1ccsc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ PLK1 P53350 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ FGFR1 P11362 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK10 P53779 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
SCHEMBL30379342 1.00 POLB (0.45) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL30379157 0.89 POLB (0.44) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL29000713 0.89 POLB (0.44) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL30379817 0.88 POLB (0.44) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL29000758 0.88 POLB (0.44) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL2061981 0.85 FGFR1 (0.53) POLBKMT2AMEN1SMN1; SMN2EGFR
SCHEMBL28360041 0.85 EGFR (0.41) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL30379924 0.85 FGFR1 (0.46) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL29000763 0.85 FGFR1 (0.46) POLBPLK1KMT2AMEN1SMN1; SMN2
SCHEMBL24625782 0.85 EGFR (0.45) SMN1; SMN2EGFRFGFR1NPC1RAB9A

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
CN-116120300-A Pyrimidine compound containing hydroxamic acid fragment, and preparation method and application thereof 贵州大学 2023-05-16 — — CN disclosed
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