SCHEMBL11853813

SCHEMBL11853813

CSc1nc(=O)n(C(C)C)c(=O)[nH]1.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ XDH P47989 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MTOR P42345 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30

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
SCHEMBL9155883 0.98 POLB (0.36) POLBHTTXDHGAAALDH1A1
SCHEMBL11849363 0.81 HTT (0.39) POLBHTTALDH1A1KDM4EKMT2A
SCHEMBL9983287 0.79 CYP1A2 (0.40) POLBHTTALDH1A1MAPTKMT2A
SCHEMBL12045841 0.73 POLB (0.39) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL11859835 0.73 CHRNB2 (0.41) HTTGAAALDH1A1KDM4EMAPT
SCHEMBL11848982 0.73 HTT (0.36) POLBHTTXDHKDM4EMAPT
SCHEMBL11837510 0.71 POLB (0.35) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL11855513 0.70 HTT (0.37) POLBHTTXDHALDH1A1KDM4E
SCHEMBL11844153 0.69 POLB (0.36) POLBGAAALDH1A1KDM4EMAPT
Dimethylamine SCHEMBL11879381 0.66 POLB (0.33) POLBGAAALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 — — US disclosed
US-3973947-A 1,3,5-Triazinediones and their use as selective herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-10 — — US disclosed
US-3951971-A SELECTIVE HERBICIDES FUCHS JULIUS JAKOB 1976-04-20 — — US disclosed
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