SCHEMBL23787848

SCHEMBL23787848

CNc1ccc(N)c2c1C(=O)c1c(NCCCNCCO)cccc1C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 3/20 0.70
▸ MMP14 P50281 2/20 0.70
▸ FGB P02675 1/20 0.70
▸ TOP2B Q02880 1/20 0.53
▸ NQO1 P15559 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ BLM P54132 4/20 0.47
▸ EGFR P00533 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ RAD52 P43351 1/20 0.47

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
SCHEMBL20333922 0.92 NSD2 (0.82) NSD2MMP14FGBTOP2BNQO1
SCHEMBL13856921 0.84 NSD2 (1.00) NSD2MMP14FGBTOP2BNQO1
SCHEMBL10581062 0.83 NSD2 (0.63) NSD2MMP14FGBTOP2BMEN1
SCHEMBL15277979 0.79 TOP2B (0.83) NSD2MMP14FGBTOP2BNQO1
SCHEMBL20333884 0.78 FGB (0.53) NSD2MMP14FGBMEN1KMT2A
SCHEMBL20333882 0.78 NSD2 (0.54) NSD2MMP14FGBMEN1KMT2A
SCHEMBL18984696 0.77 SMN1; SMN2 (0.55) NSD2MMP14FGBTOP2BNQO1
SCHEMBL23787760 0.77 NSD2 (0.56) NSD2MMP14FGBTOP2BNQO1
SCHEMBL7829735 0.76 NSD2 (0.55) NSD2MMP14FGBTOP2BMEN1
SCHEMBL595621 0.76 TOP2B (0.68) NSD2MMP14FGBTOP2BNQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558235-B1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION OREAL (FR) 2021-09-08 — — EP disclosed
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