SCHEMBL2413238

SCHEMBL2413238

O=C(CCNC(=O)c1ccccc1O)CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ BCL3 P20749 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL31298077 0.84 KMT2A (0.67) MEN1KMT2ABCL3ALDH1A1
SCHEMBL13385672 0.80 POLB (0.61) MEN1KMT2ABCL3POLBALDH1A1
SCHEMBL29036085 0.73 NAAA (0.52) BCL3POLBALDH1A1HTT
SCHEMBL31119121 0.72 HTT (0.69) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL31119120 0.72 HTT (0.69) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5707054 0.72 HTT (0.69) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2417392 0.72 HPGD (0.50) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL3195875 0.72 HPGD (0.64) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL11162200 0.72 HPGD (0.52) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL15561464 0.72 NPC1 (0.64) MEN1KMT2APOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 — — EP disclosed
EP-2549991-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS Vifor (International) AG (CH) 2013-01-30 — — EP disclosed
WO-2011117225-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2011-09-29 — — WO disclosed
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