SCHEMBL28322122

SCHEMBL28322122

[c]1cc(N2CCOCC2)nc(-n2ccc(C3CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ PIK3CA P42336 5/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ MTOR P42345 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ PIK3CB P42338 3/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CG P48736 2/20 0.31

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
SCHEMBL352791 0.76 KMT2A (0.51) KMT2APIK3CASMN1; SMN2MTORMAP3K12
SCHEMBL19686896 0.70 IDH1 (0.42) KMT2APIK3CASMN1; SMN2MAP3K12MAPT
SCHEMBL20153240 0.66 NAPEPLD (0.33) PIK3CAMTORHSD17B10PIK3CBPIK3CD
SCHEMBL7675604 0.66 MAPT (0.45) KMT2ASMN1; SMN2NPSR1MAPTTSHR
SCHEMBL27892245 0.66 KMT2A (0.46) KMT2ASMN1; SMN2NPSR1MAPTTSHR
SCHEMBL25227992 0.65 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL31730968 0.63 AR (0.34) PIK3CAMTORHTTLMNAPIK3CG
SCHEMBL31731048 0.63 CNR2 (0.38) PIK3CASMN1; SMN2MTORHSD17B10PDE10A
SCHEMBL19690992 0.62 NPC1 (0.41) SMN1; SMN2PDE10A
SCHEMBL8542336 0.62 CASP1 (0.47) KMT2ASMN1; SMN2MAPK1HRH4HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198935-B Potassium channel modulators 卡登特治疗公司 2022-05-31 — — CN disclosed
CN-110198935-A Potassium channel modulators 卡登特治疗公司 2019-09-03 — — CN disclosed
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