SCHEMBL12527306

SCHEMBL12527306

CCN(CC)c1ccc(-c2cn(-c3cc4cc(N(CC)CC)ccc4oc3=O)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ MEN1 O00255 9/20 0.45
▸ KMT2A Q03164 9/20 0.45
▸ KDM4E B2RXH2 8/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ HTT P42858 5/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ BRCA1 P38398 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ MPI P34949 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ USP2 O75604 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CYP19A1 P11511 3/20 0.42

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
SCHEMBL13348930 0.86 ADRA1D (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13315799 0.86 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3550061 0.85 MAPT (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13315798 0.82 CA12 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12494762 0.80 ADRA1D (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12496090 0.80 ADRA1D (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13315800 0.77 MAPT (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13315801 0.77 CYP19A1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13315784 0.74 KDM4E (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12495524 0.74 ADRA1A (0.54) MAPTMEN1KMT2AKDM4EALDH1A1

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
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — 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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