SCHEMBL7558962

SCHEMBL7558962

Cn1c([N+](=O)[O-])cnc1COC(=O)Nc1ccc(CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ CYP2C19 P33261 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ CXCR4 P61073 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL7561636 0.83 MAPT (0.52) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7606127 0.83 LMNA (0.54) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7608786 0.80 ENO1 (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11636351 0.76 LMNA (0.56) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13313842 0.76 LMNA (0.73) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11735334 0.76 LMNA (0.77) LMNAALDH1A1MAPTMEN1KMT2A
Ronidazole SCHEMBL635714 0.75 LMNA (1.00) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4873214 0.75 LMNA (0.75) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1978635 0.72 CYP2C19 (0.62) LMNAALDH1A1CYP2C19KDM4ESMN1; SMN2
SCHEMBL11641368 0.72 LMNA (0.67) LMNAALDH1A1MAPTKMT2ACYP2C19

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-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 — — EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 — — WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 — — WO disclosed
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