SCHEMBL3664692

SCHEMBL3664692

O=C(C1=NCCC1)C1=NCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 4/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
INMT O95050 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL9835844 0.81
SCHEMBL142379 0.81
SCHEMBL329231 0.79
Hydrochloric Acid SCHEMBL14844794 0.77 NOS3 (0.48) TP53RAB9ANOS3NOS1NOS2
SCHEMBL4674692 0.74
SCHEMBL883443 0.74
SCHEMBL2134321 0.74
SCHEMBL12762365 0.72 NOS3 (0.38) TP53RAB9ANOS3NOS1NOS2
SCHEMBL444695 0.72
SCHEMBL14398018 0.72 HPGD (0.42) TP53RAB9ANOS3NOS1NOS2

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-2235091-B1 METHOD FOR PRODUCING ISOCYANATE-TERMINATED SILOXANES WACKER CHEMIE AG (DE) 2012-11-07 EP disclosed
EP-2235091-A1 METHOD FOR PRODUCING ISOCYANATE-TERMINATED SILOXANES Wacker Chemie AG (DE) 2010-10-06 EP disclosed
WO-2009092665-A1 METHOD FOR PRODUCING ISOCYANATE-TERMINATED SILOXANES WACKER CHEMIE AG (DE) 2009-07-30 WO disclosed