SCHEMBL9364140

SCHEMBL9364140

C[N+](C)([O-])CCNc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.76
▸ KMT2A Q03164 4/20 0.76
▸ LMNA P02545 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ TDP1 Q9NUW8 3/20 0.76
▸ BLM P54132 3/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ NSD2 O96028 3/20 0.76
▸ NPC1 O15118 3/20 0.76
▸ RAB9A P51151 3/20 0.76
▸ USP2 O75604 2/20 0.76
▸ TP53 P04637 2/20 0.76
▸ RECQL P46063 2/20 0.76
▸ TOP2A P11388 2/20 0.76
▸ MTOR P42345 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ SLC22A2 O15244 1/20 0.76
▸ SLC22A1 O15245 1/20 0.76
▸ CACNA1F O60840 1/20 0.76
▸ SLC22A3 O75751 1/20 0.76

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
SCHEMBL13331702 0.92 NQO1 (0.66) MEN1KMT2ALMNAMAPK1TDP1
Banoxantrone SCHEMBL3676563 0.90 NQO1 (0.72) MEN1KMT2ALMNAMAPK1TDP1
Banoxantrone SCHEMBL29378863 0.90 NQO1 (0.72) MEN1KMT2ALMNAMAPK1TDP1
Banoxantrone SCHEMBL30324147 0.88 NQO1 (0.70) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL9367584 0.88 MEN1 (0.72) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL11036806 0.87 MEN1 (1.00) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL11391594 0.87 MEN1 (1.00) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL11041207 0.87 MEN1 (1.00) MEN1KMT2ALMNAMAPK1TDP1
Mitoxantrone SCHEMBL20214110 0.87 MEN1 (1.00) MEN1KMT2ALMNAMAPK1TDP1
SCHEMBL11517949 0.87 MEN1 (1.00) MEN1KMT2ALMNAMAPK1TDP1

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-0450021-B1 ANTI-CANCER COMPOUNDS BRITISH TECH GROUP (GB) 1994-02-02 — — EP claimed
EP-0450021-B1 ANTI-CANCER COMPOUNDS BRITISH TECH GROUP (GB) 1994-02-02 — — EP disclosed
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