SCHEMBL13534595

SCHEMBL13534595

O=C(OCc1ccccc1)N1CCN(c2ccc(=O)n(CCN3CCOCC3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HDAC1 Q13547 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10074092 0.87 MEN1 (0.58) MEN1KMT2ANPSR1HDAC1TSHR
SCHEMBL10073212 0.82 CYP1A2 (0.49) MEN1KMT2ANPSR1HDAC1CYP1A2
SCHEMBL13534535 0.81 HRH3 (0.51) MEN1KMT2ANPSR1HDAC1TSHR
SCHEMBL10074089 0.81 CYP1A2 (0.46) HDAC1CYP1A2HSD17B10
SCHEMBL13533056 0.80 TP53 (0.53) HDAC1
SCHEMBL30454657 0.77 PTGDR2 (0.44) HDAC1PARP1HSD17B10
SCHEMBL22391864 0.77 PTGDR2 (0.44) HDAC1PARP1HSD17B10
SCHEMBL14095609 0.75 KMT2A (0.97) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL1337663 0.75 KMT2A (0.97) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL2708171 0.75 MEN1 (0.55) MEN1KMT2ANPSR1ALDH1A1

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
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
EP-2145891-A1 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL S.A. (FR) 2010-01-20 — — EP disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — WO disclosed
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