SCHEMBL7559753

SCHEMBL7559753

Cn1c([N+](=O)[O-])cnc1OC(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 8/20 0.38
▸ KMT2A Q03164 8/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CXCR4 P61073 1/20 0.32

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
SCHEMBL7972343 0.78 ENO1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL12639204 0.72 CYP17A1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1CA12
SCHEMBL10807128 0.71 LMNA (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11079024 0.70 TSHR (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL19306519 0.70 KLK7 (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL7558962 0.69 LMNA (0.59) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7520078 0.68 KMT2A (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28992402 0.68 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4404861 0.67 IDO1 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30880316 0.67 MEN1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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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