SCHEMBL7561636

SCHEMBL7561636

Cn1c([N+](=O)[O-])cnc1COC(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ HTR2A P28223 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 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

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
SCHEMBL7556049 0.88 LMNA (0.62) MAPTALDH1A1HTR2ALMNAGAA
SCHEMBL7604170 0.84 HTR2A (0.51) MAPTALDH1A1HTR2ALMNAMAPK1
SCHEMBL7558962 0.83 LMNA (0.59) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL3037119 0.78 HTR2A (0.68) MAPTALDH1A1HTR2ALMNAMAPK1
SCHEMBL25189373 0.76 HTR2A (0.65) MAPTALDH1A1HTR2ALMNAMAPK1
SCHEMBL30880314 0.76 HTR2A (0.56) MAPTALDH1A1HTR2ALMNAMAPK1
SCHEMBL28709983 0.76 HTR2A (0.57) MAPTALDH1A1HTR2ALMNAMAPK1
SCHEMBL11636351 0.75 LMNA (0.56) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7519622 0.75 ATM (0.54) MAPTALDH1A1HTR2AMAPK1L3MBTL1
SCHEMBL25304122 0.75 ALDH1A1 (0.73) MAPTALDH1A1LMNAMAPK1L3MBTL1

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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