SCHEMBL7435136

SCHEMBL7435136

CCCC[Si](C)(C)Oc1[c]ccc([N+](=O)[O-])c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TXNRD1 Q16881 3/20 0.31
GSR P00390 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9211211 0.73 KMT2A (0.35) ALDH1A1MAPTTXNRD1GSRKMT2A
SCHEMBL6922449 0.70 RAB9A (0.36) ALDH1A1MAPTTDP1
SCHEMBL9211222 0.70 KMT2A (0.36) ALDH1A1MAPTKMT2A
SCHEMBL27575940 0.66 GPR35 (0.40) ALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL7435141 0.65 ALDH1A1 (0.33) ALDH1A1MAPTTDP1
SCHEMBL5655061 0.62 KMT2A (0.38) ALDH1A1TDP1L3MBTL1TXNRD1KMT2A
SCHEMBL11355163 0.62 NPC1 (0.42) ALDH1A1MAPTTDP1KMT2A
SCHEMBL3128008 0.59 CYP3A4 (0.30)
SCHEMBL18286925 0.59 TDP1 (0.58) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL3128001 0.59

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-1993002057-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-04 WO disclosed