SCHEMBL31132618

SCHEMBL31132618

CCOC(=O)c1cn(CCO[Si](C)(C)C(C)(C)C)c(=O)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 9/20 0.38
▸ GABRB2 P47870 9/20 0.38
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ DUT P33316 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL31132914 0.86 DUT (0.37) DUT
SCHEMBL31132987 0.78 DUT (0.39) DUT
SCHEMBL31132944 0.73 ALDH1A1 (0.53) GABRA2GABRB2GAAKDM4EALDH1A1
SCHEMBL21809657 0.72 KMT2A (0.37) GAAKDM4EALDH1A1HPGDDUT
SCHEMBL26631687 0.70 DUT (0.38) DUTRXFP1
SCHEMBL6077974 0.70 KMT2A (0.38) GAAKDM4EPOLBALDH1A1HPGD
SCHEMBL31132827 0.69 DUT (0.38) GAAKDM4EDUTMAPK1KMT2A
SCHEMBL2928812 0.69 ALDH1A1 (0.43) GAAKDM4EPOLBALDH1A1CYP1A2
SCHEMBL13860366 0.68 L3MBTL1 (0.43) KDM4EALDH1A1HPGDCYP1A2DUT
SCHEMBL2617374 0.67 TARBP2 (0.42) GABRA2GABRB2KDM4ECYP1A2DUT

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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