SCHEMBL31087006

SCHEMBL31087006

C[Si](C)(C)C#Cc1ccc(-n2ccnc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ CYP1A2 P05177 12/20 0.40
▸ CYP3A4 P08684 12/20 0.40
▸ CYP2C19 P33261 11/20 0.40
▸ CYP2D6 P10635 11/20 0.40
▸ CYP2C9 P11712 5/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 7/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ ALOX15 P16050 5/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL1461371 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL8815628 0.73 GAA (0.50) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL17336600 0.72 MAPT (0.76) MAPT
SCHEMBL25614496 0.72 CYP3A4 (0.42) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL23055298 0.70 CYP3A4 (0.53) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL10162595 0.70 LOXL2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4878557 0.69 LMNA (0.56) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21863403 0.69 CYP3A4 (0.46) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL30753599 0.69 LMNA (0.56) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL28678423 0.69 CYP3A4 (0.59) MAPTCYP1A2CYP3A4CYP2C19CYP2D6

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-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 — — WO disclosed
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