SCHEMBL17907875

SCHEMBL17907875

O=C1c2ccccc2C(=O)c2c(NCCCOCCOCCO)ccc(O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.59
▸ TOP2B Q02880 1/20 0.53
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ MAPK1 P28482 5/20 0.50
▸ LMNA P02545 5/20 0.50
▸ BLM P54132 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ TDP1 Q9NUW8 5/20 0.50
▸ NSD2 O96028 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ RECQL P46063 3/20 0.50
▸ NQO1 P15559 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ EGFR P00533 2/20 0.50

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
SCHEMBL13592574 0.94 TOP2B (0.59) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL16344455 0.92 TOP2B (0.61) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL20334359 0.91 TOP2B (0.57) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL18984751 0.89 CYP19A1 (0.51) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL4399257 0.89 CYP19A1 (0.51) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL1896432 0.88 CYP19A1 (0.52) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL14110308 0.87 TOP2B (0.58) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL16344062 0.87 TOP2B (0.61) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL27294872 0.86 TOP2B (0.62) CYP19A1TOP2BMEN1KMT2AMAPK1
SCHEMBL6661577 0.86 CYP19A1 (0.80) CYP19A1TOP2BMEN1KMT2AMAPK1

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-1828314-B1 IMPROVED ANTHRAQUINONE COLORANT COMPOSITIONS AND METHODS FOR PRODUCING THE SAME MILLIKEN & CO (US) 2016-07-13 — — EP claimed
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