SCHEMBL28935546

SCHEMBL28935546

O=C(O)N1CCN(c2ccc3[nH]ccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.47
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAP4K4 O95819 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ GOT1 P17174 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OXTR P30559 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 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
SCHEMBL16249702 0.81 MAP4K4 (0.55) JAK3ALDH1A1MAP4K4
SCHEMBL22576043 0.76 TP53 (0.45) JAK3KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL29727823 0.75 HRH3 (0.41) JAK3KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29931500 0.75 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HCAR2CYP3A4
SCHEMBL5239212 0.75 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HCAR2CYP3A4
SCHEMBL27881017 0.73 MAP4K4 (0.41) JAK3KDM4EALDH1A1SMN1; SMN2HCAR2
SCHEMBL3721191 0.72 MAPK14 (0.46) KDM4EALDH1A1MGLLCYP3A4GHSR
SCHEMBL27952422 0.71 HCAR2 (0.47) KDM4EALDH1A1SMN1; SMN2HCAR2CYP3A4
SCHEMBL1225685 0.71 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2HCAR2CYP3A4
SCHEMBL12723984 0.70 HCAR2 (0.55) KDM4EALDH1A1SMN1; SMN2HCAR2RECQL

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
CN-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 — — CN disclosed
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