SCHEMBL7764353

SCHEMBL7764353

c1ccc([Si](c2ccccc2)=c2nccnc2=[Si](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
P4HTM Q9NXG6 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NAPRT Q6XQN6 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMO O15229 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
METAP1 P53582 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
DOHH Q9BU89 1/20 0.32
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ASIC3 Q9UHC3 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
SCHEMBL7767158 0.69
SCHEMBL7629299 0.65 APP (0.35) TDP1LMNANAPRTALDH1A1CES2
SCHEMBL3190528 0.61 ALDH1A1 (0.55) LMNAP4HTMALDH1A1KDM4ECYP1A2
SCHEMBL292238 0.61 ALDH1A1 (0.37) TDP1LMNAL3MBTL1NAPRTALDH1A1
SCHEMBL10038833 0.61 ALDH1A1 (0.35) TDP1LMNAL3MBTL1NAPRTALDH1A1
Quinoxaline SCHEMBL27830916 0.61 ALDH1A1 (0.55) LMNAP4HTMALDH1A1KDM4ECYP1A2
SCHEMBL38901 0.60 ALDH1A1 (0.40) TDP1LMNAL3MBTL1ALDH1A1KMT2A
Benzene SCHEMBL28223369 0.60 ALDH1A1 (0.40) TDP1LMNAL3MBTL1ALDH1A1KMT2A
Benzene SCHEMBL27879268 0.60 ALDH1A1 (0.40) TDP1LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL1778033 0.60 ALDH1A1 (0.40) TDP1LMNAALDH1A1KMT2ASMN1; SMN2

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
EP-1097161-A1 TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 2001-05-09 EP disclosed
WO-2000002891-A1 TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 2000-01-20 WO disclosed