SCHEMBL11040963

SCHEMBL11040963

CC(=O)N1C(CCC(C)C)=Nc2cnc3ccccc3c2N1C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP5 P45974 1/20 0.33
▸ ALDH1A1 P00352 7/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PTK2B Q14289 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11040110 0.88 USP5 (0.34) USP5ALDH1A1KDM4EBCHEERN1
SCHEMBL11252296 0.85 BCHE (0.39) KDM4EBCHERAB9ANPC1
SCHEMBL11038236 0.85 BCHE (0.39) ALDH1A1KDM4ETLR7BCHELMNA
SCHEMBL11038204 0.84 TLR7 (0.41) ALDH1A1KDM4ETLR7BCHETSHR
SCHEMBL11038226 0.83 TLR7 (0.42) ALDH1A1KDM4ETLR7BCHETSHR
SCHEMBL11248849 0.81 BCHE (0.38) BCHEERN1
SCHEMBL11257731 0.78 TLR7 (0.38) ALDH1A1KDM4ETLR7BCHETSHR
SCHEMBL11036595 0.78 USP5 (0.34) USP5ALDH1A1KDM4ETLR7BCHE
SCHEMBL11057991 0.78 ALDH1A1 (0.34) USP5ALDH1A1KDM4EBCHEERN1
Hydrochloric Acid SCHEMBL11039693 0.77 USP5 (0.33) USP5ALDH1A1KDM4ETLR7BCHE

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
EP-0038528-B1 DIHYDRO-AS-TRIAZINO(5,6-C)QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-08-08 — — EP disclosed
US-4342766-A SAID COMPOUNDS POSSESS ANTIPHLOGISTIC, ANALGESIC, ANTICONVULSIVE AND TRANQUILIZING PROPERTIES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-08-03 — — US disclosed
EP-0038528-A1 Dihydro-as-triazino(5,6-c)quinoline derivatives, process for their preparation and pharmaceutical compositions containing these compounds EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-10-28 — — EP disclosed
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