SCHEMBL6275597

SCHEMBL6275597

CCO[Si](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 5/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
CNR1 P21554 1/20 0.52
MAPK1 P28482 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
GLA P06280 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47

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
SCHEMBL21581791 0.88 EPHX1 (0.51) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL19091261 0.83 ALDH1A1 (0.56) HTTKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22609165 0.83 ALDH1A1 (0.57) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL29606242 0.83 MAPT (0.52) POLBKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1558275 0.82 MAPT (0.58) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL21357360 0.82 EPHX1 (0.48) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL6280635 0.82 EPHX1 (0.62) HTTKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22579080 0.81 NAMPT (0.50) HTTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22579084 0.81 NAMPT (0.50) HTTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13896286 0.81 MAPT (0.46) HTTKMT2AALDH1A1MEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105257-A1 CHROMATOGRAPHIC STATIONARY PHASE FOR SEPARATION OF CYCLODEXTRINE AND DERIVATIVES THEREOF CHIROQUEST KIRÁLIS TECHNOLÓGIÁKAT FEJLESZTÖ KFT. (HU) 2005-11-10 WO disclosed