SCHEMBL7604170

SCHEMBL7604170

Cn1c(COC(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.51
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAOB P27338 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
SCHEMBL7554208 0.88 HTR2A (0.52) HTR2AMAPTALDH1A1L3MBTL1GAA
SCHEMBL7561636 0.84 MAPT (0.52) HTR2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7608786 0.83 ENO1 (0.44) MAPTALDH1A1L3MBTL1GAACXCR4
SCHEMBL7972343 0.79 ENO1 (0.40) MAPTALDH1A1L3MBTL1POLBCXCR4
SCHEMBL3037119 0.78 HTR2A (0.68) HTR2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL23616423 0.78 HTR2A (0.42) HTR2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7556391 0.76 ENO1 (0.42) MAPTALDH1A1MAPK1GAAPOLB
SCHEMBL25189373 0.76 HTR2A (0.65) HTR2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30880314 0.76 HTR2A (0.56) HTR2AMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL28709983 0.76 HTR2A (0.57) HTR2AMAPTALDH1A1MAPK1L3MBTL1

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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