SCHEMBL7581296

SCHEMBL7581296

O=C(CCN1CCN=C1c1ccccc1)OCCO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.45
▸ TOP2B Q02880 3/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ RECQL P46063 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TARBP2 Q15633 1/20 0.34

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
SCHEMBL28088766 0.70 TOP2A (0.47) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL10365364 0.70 TOP2A (0.47) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL5707874 0.70 FNTA (0.41) TOP2AKMT2ATDP1ALDH1A1RECQL
SCHEMBL29172183 0.69 HDAC1 (0.43) TOP2ATOP2BMEN1KMT2A
SCHEMBL30158385 0.69 TOP2A (0.43) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL5707890 0.68 ESR1 (0.67) TDP1ALDH1A1RECQLGAATARBP2
SCHEMBL7561044 0.67 TOP2A (0.47) TOP2ATOP2BMEN1KMT2ANPC1
SCHEMBL11137789 0.66 MEN1 (0.47) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL11134767 0.66 MEN1 (0.47) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL11134339 0.66 ACHE (0.46) TOP2ATOP2BALDH1A1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1106875-C Dispersing agent EFKA CHEMIALS B V (NL) 2003-04-30 — — CN disclosed
EP-0956153-B1 DISPERSING AGENT EFKA ADDITIVES B V (NL) 2002-10-02 — — EP disclosed
CN-1213987-A Dispersing agent EKFA CHEMICALS B V (NL) 1999-04-14 — — CN disclosed
US-5882393-A REACTION PRODUCT OF POLYISOCYANATES WITH A COMPOUND OF RING STRUCTURE WITH AT LEAST ONE NITROGEN ATOM IN RING; LACQUER EFKA CHEMICALS B.V. (NL) 1999-03-16 — — US disclosed
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