SCHEMBL9476261

SCHEMBL9476261

C[Si](C)(C)CCOCOc1cccnc1C#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
CYP11B1 P15538 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
NR3C1 P04150 1/20 0.30
GRM5 P41594 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL30936621 0.79 ALDH1A1 (0.43) GAARAB9ANPC1ALDH1A1HPGD
SCHEMBL16238292 0.79 PLCG1 (0.43) PLCG1CYP11B1PKMRAB9ANPC1
SCHEMBL8710247 0.78 S1PR4 (0.44) ALOX5APFEN1GAARAB9ANPC1
SCHEMBL31437246 0.78 S1PR4 (0.44) ALOX5APFEN1GAARAB9ANPC1
SCHEMBL29265162 0.76 ALOX5AP (0.36) ALOX5APFEN1GAARAB9ANPC1
SCHEMBL10221817 0.75 PKM (0.49) PLCG1CYP11B1PKMGRM5ALDH1A1
SCHEMBL22551784 0.74 USP8 (0.43) PLCG1CYP11B1GAARAB9ANPC1
SCHEMBL2135396 0.74 TSHR (0.34) ALOX5APFEN1GAARAB9ANPC1
SCHEMBL11498598 0.73 PDE5A (0.45) PLCG1ALDH1A1HPGDMAPT
SCHEMBL2133211 0.72 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed