SCHEMBL12494762

SCHEMBL12494762

CCN(CC)c1ccc2cc(-n3cc(-c4ccc(N5CCOCCOCCOCCOCC5)cc4)nn3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ CASP1 P29466 4/20 0.46
▸ CASP7 P55210 4/20 0.46
▸ MAPT P10636 11/20 0.44
▸ MEN1 O00255 10/20 0.44
▸ KMT2A Q03164 10/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ HTT P42858 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ USP2 O75604 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CYP19A1 P11511 3/20 0.43
▸ ATM Q13315 6/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL12496090 1.00 ADRA1D (0.48) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL12495524 0.88 ADRA1A (0.54) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL12495445 0.86 CYP19A1 (0.53) CASP1CASP7MAPTMEN1KMT2A
SCHEMBL12495402 0.86 CYP19A1 (0.53) CASP1CASP7MAPTMEN1KMT2A
SCHEMBL12494765 0.85 ADRA1D (0.48) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL13348930 0.85 ADRA1D (0.50) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL13315799 0.85 MAPT (0.58) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL3550061 0.84 MAPT (0.60) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL20631480 0.82 ADRA1D (0.61) ADRA1DADRA1AADRA1BCASP1CASP7
SCHEMBL20631468 0.81 ADRA1A (0.48) ADRA1DADRA1AADRA1BCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — EP claimed
EP-2683714-A1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION Universität Potsdam (DE) 2014-01-15 — — EP claimed
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 — — WO claimed
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — EP disclosed
EP-2683714-A1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION Universität Potsdam (DE) 2014-01-15 — — EP disclosed
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 — — WO disclosed
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