SCHEMBL11308264

SCHEMBL11308264

CCN(CCNCC(C)OC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ GFER P55789 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL11826491 0.79 SCN1A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11830979 0.74 NPSR1 (0.42) SMN1; SMN2ALDH1A1NPSR1LMNATSHR
SCHEMBL8978503 0.73 MTNR1A (0.68) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL11426250 0.73 DRD4 (0.42) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL16173977 0.72 TSHR (0.50) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL11828894 0.72 CNR2 (0.43) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL9104218 0.71 DRD4 (0.50) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL9180518 0.71 KMT2A (0.72) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL5691122 0.70 MEN1 (0.48) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL11379075 0.70 SLC18A3 (0.44) KMT2AMEN1MAPTALDH1A1TSHR

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-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
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