SCHEMBL21609023

SCHEMBL21609023

CNc1cc(C)c(OCC(C)C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAP3K7 O43318 4/20 0.34
▸ TAB1 Q15750 4/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ PRKD3 O94806 1/20 0.33

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
SCHEMBL25469864 0.70 MEN1 (0.35) MEN1LMNAPOLBHTTKMT2A
SCHEMBL25807400 0.68 MEN1 (0.38) MEN1LMNAPOLBHTTKMT2A
SCHEMBL17248008 0.67 NOS3 (0.41) MEN1LMNAPOLBHTTKMT2A
SCHEMBL19121798 0.67 MEN1 (0.49) MEN1LMNAPOLBHTTKMT2A
SCHEMBL17648154 0.65 MAP3K7 (0.39) MEN1LMNAPOLBHTTKMT2A
SCHEMBL22595114 0.65 CNR2 (0.38) MEN1LMNAKMT2AL3MBTL1
SCHEMBL20361824 0.65 XDH (0.36) MEN1LMNAPOLBHTTKMT2A
SCHEMBL18049863 0.65 NUDT1 (0.60) MEN1LMNAPOLBHTTKMT2A
SCHEMBL14472116 0.64 ALDH1A1 (0.44) MEN1POLBKMT2ASMN1; SMN2PRKD3
SCHEMBL10735673 0.63 MEN1 (0.39) MEN1LMNAPOLBHTTKMT2A

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
WO-2019243303-A1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2019-12-26 — — WO disclosed
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