SCHEMBL24529207

SCHEMBL24529207

CCNCc1cccc(-c2cc(OC(F)F)c3nccn3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ CFD P00746 1/20 0.37
▸ NMT1 P30419 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CD63 P08962 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32

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
SCHEMBL24529319 0.87 SYK (0.40) HDAC6HTR1ACFDEPHB4CD63
SCHEMBL29723821 0.81 HCRTR2 (0.35) HDAC6JAK2JAK1PDE4BPDE4D
SCHEMBL24529205 0.81 HCRTR2 (0.35) HDAC6JAK2JAK1PDE4BPDE4D
SCHEMBL27180720 0.81 HCRTR2 (0.35) HDAC6JAK2JAK1PDE4BPDE4D
SCHEMBL29723692 0.76 HCRTR2 (0.37) HDAC6CFDPDE4D
SCHEMBL24529350 0.76 TLR9 (0.37) HDAC6CFDJAK2JAK1PDE4D
SCHEMBL24529535 0.74 DYRK1A (0.47) NMT1PRMT6
SCHEMBL24529142 0.73 HCRTR2 (0.46) EPHB4CD63SYK
SCHEMBL24529380 0.73 HCRTR2 (0.42) HDAC6CFDJAK2JAK1PDE4D
SCHEMBL27180128 0.72 HCRTR2 (0.48) HDAC6CFDPDE4D

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
Send feedback