SCHEMBL4632631

SCHEMBL4632631

C[Si](C)(C)CCOC(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 2/20 0.42
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL7376694 0.87 RAB9A (0.47) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL32690775 0.86 ALDH1A1 (0.49) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL21616473 0.85 RAB9A (0.53) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL19543206 0.81 RAB9A (0.58) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL27131470 0.80 L3MBTL1 (0.55) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL29911025 0.79 ALDH1A1 (0.60) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL57736 0.79 ALDH1A1 (0.60) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL3408095 0.79 TDP1 (0.41) RAB9ANPC1TDP1CYP1A2L3MBTL1
SCHEMBL8356047 0.78 CYP1A2 (0.49) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL983419 0.76 ALDH1A1 (0.62) RAB9ANPC1RECQLALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900276-A1 BIFUNCTIONAL CHELATING AGENTS General Electric Company (US) 2015-08-05 EP disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
EP-1492523-A2 METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-05 EP disclosed
WO-2003043631-A2 METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-30 WO disclosed