SCHEMBL16024506

SCHEMBL16024506

CCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ F10 P00742 2/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ LOX P28300 2/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TERT O14746 2/20 0.39

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
SCHEMBL26167876 0.91 LOX (0.43) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL19100083 0.87 F10 (0.40) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL13525981 0.87 F10 (0.38) SPHK2HDAC3F10KMT2AALDH1A1
SCHEMBL21546126 0.86 F10 (0.42) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL30587015 0.86 F10 (0.42) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL13634584 0.86 F10 (0.42) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL24370727 0.86 SMN1; SMN2 (0.45) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL24199561 0.85 F10 (0.40) SPHK2HDAC3F10KMT2AALDH1A1
SCHEMBL18359680 0.85 SPHK2 (0.49) SPHK2HDAC3F10KMT2ASMN1; SMN2
SCHEMBL26319090 0.83 MAOB (0.40) SPHK2HDAC3F10KMT2ASMN1; SMN2

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-2964624-B1 RHODAMINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LTD (GB) 2017-01-04 — — EP disclosed
WO-2014135223-A1 RHODAMINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LTD (GB) 2014-09-12 — — WO disclosed
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