SCHEMBL7556049

SCHEMBL7556049

Cn1c([N+](=O)[O-])cnc1COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ HTR2A P28223 1/20 0.52
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ BCL9 O00512 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MGLL Q99685 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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 0.88 MAPT (0.52) LMNAHTR2AMAPTALDH1A1KMT2A
SCHEMBL11755910 0.84 LMNA (0.58) LMNAMAPTALDH1A1KMT2AGAA
SCHEMBL11637096 0.83 LMNA (0.65) LMNAMAPTALDH1A1KMT2ACYP2C19
SCHEMBL13313842 0.81 LMNA (0.73) LMNAMAPTALDH1A1KMT2ACYP2C19
SCHEMBL13313907 0.80 HTR2A (0.42) LMNAHTR2AMAPTALDH1A1KMT2A
SCHEMBL7554208 0.79 HTR2A (0.52) HTR2AMAPTALDH1A1KMT2ABCL9
SCHEMBL11735334 0.79 LMNA (0.77) LMNAMAPTALDH1A1KMT2ACYP2C19
Ronidazole SCHEMBL635714 0.77 LMNA (1.00) LMNAMAPTALDH1A1KMT2ACYP2C19
SCHEMBL4873214 0.77 LMNA (0.75) LMNAMAPTALDH1A1KMT2ACYP2C19
SCHEMBL30740366 0.75 HTR2A (0.53) HTR2AMAPTALDH1A1KMT2ABCL9

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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