SCHEMBL12495445

SCHEMBL12495445

CCN(CC)c1ccc2cc(-c3cn(-c4ccc(N5CCOCCOCCOCCOCCOCC5)cc4)nn3)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.53
▸ MAPT P10636 13/20 0.49
▸ MEN1 O00255 9/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ LMNA P02545 6/20 0.49
▸ HTT P42858 6/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ USP2 O75604 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 3/20 0.48
▸ CASP1 P29466 4/20 0.47
▸ CASP7 P55210 4/20 0.47
▸ ATM Q13315 5/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HBB P68871 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL12495402 1.00 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12495579 0.89 ADRA1D (0.47) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12495141 0.86 CASP1 (0.43) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12494762 0.86 ADRA1D (0.48) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12496090 0.86 ADRA1D (0.48) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL20630860 0.82 ADRA1D (0.42) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL20630368 0.80 CASP1 (0.38) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12495524 0.76 ADRA1A (0.54) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL20631480 0.75 ADRA1D (0.61) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12494765 0.74 ADRA1D (0.48) CYP19A1MAPTMEN1KMT2ALMNA

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
Send feedback