SCHEMBL19365391

SCHEMBL19365391

Cc1nccn1CCCNC(=O)N(c1nc(-c2cccc(C(F)(F)F)c2)ccc1N)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.38
▸ ITGB3 P05106 4/20 0.37
▸ ITGA2B P08514 4/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ QPCT Q16769 9/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ KMO O15229 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
SCHEMBL19670534 0.86 DGAT2 (0.41) DGAT2TLR8ITGB3ITGA2BPIK3CD
SCHEMBL19706158 0.82 NAMPT (0.42) —
SCHEMBL19706248 0.82 NAMPT (0.40) ACP1KMO
SCHEMBL19365630 0.82 CTSK (0.38) ITGB3ITGA2BKMO
SCHEMBL19706079 0.81 CA12 (0.40) ITGB3ITGA2BACP1KMO
SCHEMBL19365828 0.80 CA12 (0.46) ACP1KDM1APIK3CDPIK3CAPIK3CG
SCHEMBL19364862 0.79 MAP4K4 (0.45) —
SCHEMBL19706040 0.77 KDM1A (0.40) KDM1APIK3CDPIK3CAPIK3CG
SCHEMBL21841343 0.76 KMO (0.41) KDM1APIK3CDPIK3CAPIK3CGKMO
SCHEMBL19670601 0.75 POLB (0.41) KDM1APIK3CDPIK3CAPIK3CGKMO

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
Send feedback