SCHEMBL3101413

SCHEMBL3101413

C[SiH2]OC(O[SiH2]C)C(C)(C)CCn1cc(C#N)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ HTT P42858 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ POLB P06746 1/20 0.46
▸ IMPDH2 P12268 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2760552 0.93 MAPT (0.56) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL3229455 0.84 PDE4B (0.41) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL3111324 0.78 HTT (0.43) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL3102864 0.71 GSK3B (0.43) —
SCHEMBL27957397 0.70 MAPT (0.66) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL1779408 0.70 MAPT (0.58) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL8240740 0.70 MAPT (0.74) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL7292220 0.69 ALDH1A1 (0.66) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL1077430 0.69 MAPT (0.64) MAPTL3MBTL1HTTSMN1; SMN2TDP1
SCHEMBL1777652 0.68 MAPT (0.62) MAPTL3MBTL1HTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 — — EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 — — EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 — — EP disclosed
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