SCHEMBL22239840

SCHEMBL22239840

O=C(NCC(F)(F)F)c1ccc2c(n1)N(C(=O)Nc1cnc(OC[C@@H](O)CO)cn1)C1CCN2C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ CNR2 P34972 5/20 0.32
▸ RAF1 P04049 3/20 0.31
▸ CTSS P25774 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ JAK3 P52333 2/20 0.30
▸ KIF18A Q8NI77 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 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
SCHEMBL17770131 1.00 SCN9A (0.33) SCN9ASCN10ACNR2RAF1CTSS
SCHEMBL19714029 1.00 SCN9A (0.33) SCN9ASCN10ACNR2RAF1CTSS
SCHEMBL19713711 1.00 SCN9A (0.33) SCN9ASCN10ACNR2RAF1CTSS
SCHEMBL17770137 1.00 SCN9A (0.33) SCN9ASCN10ACNR2RAF1CTSS
SCHEMBL19713712 1.00 SCN9A (0.33) SCN9ASCN10ACNR2RAF1CTSS
SCHEMBL19736546 0.90 SCN9A (0.31) SCN9ASCN10ACNR2CTSSACACB
SCHEMBL19713929 0.89 CNR2 (0.36) CNR2AXL
SCHEMBL19713927 0.89 CNR2 (0.36) CNR2AXL
SCHEMBL19736200 0.89 CNR2 (0.38) CNR2
SCHEMBL19736350 0.88 ACACB (0.34) SCN9ASCN10ACTSSACACBJAK3

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
Send feedback