SCHEMBL19670600

SCHEMBL19670600

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2NCCC[C@@H]1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16785537 0.87 SCN9A (0.39) KMOPHGDHSCN9ATRPM8KARS1
SCHEMBL16776478 0.87 SCN9A (0.39) KMOPHGDHSCN9ATRPM8KARS1
SCHEMBL16775892 0.84 FGFR4 (0.42) KMOPHGDHTLR7SCN9ATRPM8
SCHEMBL19670602 0.84 SMN1; SMN2 (0.37) KMOSMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL16776473 0.84 FGFR4 (0.42) KMOPHGDHTLR7SCN9ACPT2
SCHEMBL19365576 0.83 KDM1A (0.41) KMOPHGDHTLR7TRPM8JAK2
SCHEMBL16775953 0.79 TRPV1 (0.44) KMOPHGDHSCN9ASMN1; SMN2TRPM8
SCHEMBL16776124 0.79 CNR2 (0.38) KMOSMN1; SMN2RPS6KA3CNR2ALDH1A1
SCHEMBL16775838 0.78 KCNH2 (0.39) KMOSMN1; SMN2JAK2KCNH2SLC5A1
SCHEMBL16776480 0.78 TRPM8 (0.42) PHGDHTRPM8HCRTR1HCRTR2TRPV1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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