SCHEMBL15062072

SCHEMBL15062072

COP(=O)(O)CCCNS(=O)(=O)c1ccc2sc(/C=C3\C=CN(C)c4ccccc43)[n+](C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTR1A P08908 5/20 0.32
▸ ADRA2A P08913 5/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL13052542 0.83 KDM4E (0.33) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL13052521 0.79 POLB (0.44) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL19749255 0.78 POLB (0.32) ALDH1A1POLBMAPTHPGD
SCHEMBL19750675 0.77 POLB (0.32) POLB
SCHEMBL19749263 0.72 OPRM1 (0.32) —
SCHEMBL168807 0.71 RAB9A (0.57) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL13388979 0.71 RAB9A (0.57) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL13052506 0.69 MEN1 (0.42) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL18034211 0.69 KDM4E (0.31) ALDH1A1KDM4EMEN1NPC1POLB
SCHEMBL15198322 0.68 KDM4E (0.39) ALDH1A1KDM4EMEN1NPC1POLB

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-2607431-B1 Cyanine dye compounds LIFE TECHNOLOGIES CORP (US) 2016-08-24 — — EP disclosed
EP-2607431-A1 Cyanine dye compounds Life Technologies Corporation (US) 2013-06-26 — — EP disclosed
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