SCHEMBL11042326

SCHEMBL11042326

COc1cccc([N+](=O)[O-])c1C(C#N)O[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPK1 P28482 3/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIN1 Q13526 1/20 0.36
MAPT P10636 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL17048984 0.84 HPGD (0.40) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL11039354 0.78 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL29922664 0.78 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL11041797 0.76 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL26042834 0.75 TDP1 (0.62) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL11041179 0.73 TDP1 (0.47) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL11042257 0.72 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL2416277 0.71 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL5037597 0.70 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL22095405 0.69 MAPT (0.44) ALDH1A1TDP1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed