SCHEMBL7557486

SCHEMBL7557486

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ENO1 P06733 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CXCR4 P61073 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL7556391 0.91 ENO1 (0.42) ENO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7560664 0.84 ALDH1A1 (0.39) ENO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7608786 0.83 ENO1 (0.44) ENO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7606127 0.83 LMNA (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL16526867 0.83 NAMPT (0.41) CA12CA1CA2CA9
SCHEMBL7558264 0.79 ENO1 (0.45) ENO1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL7972343 0.78 ENO1 (0.40) ENO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12380434 0.78 HDAC1 (0.37) CA12CA1CA2CA9ENO1
SCHEMBL16358394 0.77 ENO1 (0.52) ENO1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL7604170 0.76 HTR2A (0.51) ENO1ALDH1A1MAPTMEN1KMT2A

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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