SCHEMBL11848982

SCHEMBL11848982

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ XDH P47989 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 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
SCHEMBL11855513 0.98 HTT (0.37) HTTMAPTLMNAXDHPKM
SCHEMBL15015816 0.81 CYP1A2 (0.40) MAPTLMNAL3MBTL1KDM4EPOLB
SCHEMBL11859835 0.75 CHRNB2 (0.41) HTTMAPTPKMKMT2AL3MBTL1
SCHEMBL11853813 0.73 POLB (0.35) HTTMAPTXDHPKMKMT2A
SCHEMBL11851381 0.70 LMNA (0.38) MAPTLMNAKMT2ACSNK2A2CSNK2B
SCHEMBL11845691 0.70 LMNA (0.34) MAPTLMNAXDHCSNK2A2CSNK2B
SCHEMBL9155883 0.70 POLB (0.36) HTTMAPTXDHPKMKMT2A
SCHEMBL11846958 0.67 OGFRL1 (0.31) —
SCHEMBL11846974 0.67 RXFP1 (0.35) HTTLMNACSNK2A2CSNK2BCSNK2A1
SCHEMBL11824631 0.66 SMN1; SMN2 (0.47) HTTMAPTLMNAKMT2AL3MBTL1

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
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 — — US disclosed
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