SCHEMBL29187045

SCHEMBL29187045

COC[CH]c1cc(Br)ccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TNF P01375 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL27845876 0.81 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1079189 0.73 DYRK1A (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL29187008 0.73 GBA1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL25401107 0.72 — —
SCHEMBL3466128 0.69 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL17207701 0.69 — —
SCHEMBL5170675 0.69 — —
SCHEMBL30620625 0.69 — —
SCHEMBL1094456 0.69 — —
SCHEMBL30067859 0.69 — —

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 1 patent. 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
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