SCHEMBL30001896

SCHEMBL30001896

COC[C@H](O[Si](C)(C)C(C)(C)C)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
CA12 O43570 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL29186968 1.00 CYP2C19 (0.34) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL30001392 0.83 ADRB2 (0.34) CYP2C19KMT2AMEN1MAPTKDM4E
SCHEMBL30262450 0.82 CYP2C19 (0.43) CYP2C19KMT2AMEN1MAPTLMNA
SCHEMBL29182971 0.82 CYP2C19 (0.43) CYP2C19KMT2AMEN1MAPTLMNA
SCHEMBL30001545 0.79 CA2 (0.31)
SCHEMBL29186904 0.79 CA2 (0.31)
SCHEMBL29186970 0.76 CYP2D6 (0.41) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL30001220 0.76 CYP2D6 (0.41) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL30001979 0.75 ADRB2 (0.34) CYP2C19KMT2AMEN1MAPTKDM4E
SCHEMBL3716664 0.68 TSHR (0.42) KMT2AMEN1MAPTLMNAPOLB

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-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed