SCHEMBL7556391

SCHEMBL7556391

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENO1 P06733 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL7557486 0.91 CA12 (0.42) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7608786 0.86 ENO1 (0.44) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7560664 0.85 ALDH1A1 (0.39) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7972343 0.79 ENO1 (0.40) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16358394 0.78 ENO1 (0.52) ENO1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7604170 0.76 HTR2A (0.51) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL12232415 0.76 ENO1 (0.49) ENO1ALDH1A1SMN1; SMN2PARP1LMNA
SCHEMBL12598342 0.75 ENO1 (0.48) ENO1SMN1; SMN2PARP1LMNATDP1
SCHEMBL12598240 0.75 ENO1 (0.43) ENO1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL16526867 0.75 NAMPT (0.41) —

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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