SCHEMBL24708422

SCHEMBL24708422

COCCNCc1cc(Br)ccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAPT P10636 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
SCHEMBL22637134 0.78 DYRK1A (0.38) HTTKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL5162783 0.76 SMN1; SMN2 (0.38) HTTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL13450919 0.76 CHRM2 (0.62) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31706588 0.75 SIRT2 (0.38) KDM4EALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL15104527 0.75 L3MBTL1 (0.45) HTTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL12434098 0.74 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17847863 0.74 KCNH2 (0.40) KDM4EALDH1A1MEN1KMT2AHTR2A
SCHEMBL1048028 0.74 KDM4E (0.37) HTTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL26686762 0.74 LRRK2 (0.50) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL29186948 0.73 S1PR1 (0.36) HTTKDM4EMEN1KMT2AMAPT

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
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
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