SCHEMBL30708510

SCHEMBL30708510

COCOc1ccc(I)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ APP P05067 3/20 0.33
▸ MAOB P27338 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ ROR1 Q01973 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31

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
SCHEMBL30176397 0.85 SMN1; SMN2 (0.35) FYNMAPTKDM4EALDH1A1APP
SCHEMBL23887132 0.85 SMN1; SMN2 (0.35) FYNMAPTKDM4EALDH1A1APP
SCHEMBL7595839 0.82 FYN (0.35) FYNAPPROR1MMP2MMP3
SCHEMBL1918393 0.81 FYN (0.42) FYNALDH1A1CA12CA1CA2
SCHEMBL30777888 0.80 CA1 (0.46) MAPTKDM4EALDH1A1BACE1ACHE
SCHEMBL3516667 0.80 CA1 (0.46) MAPTKDM4EALDH1A1BACE1ACHE
SCHEMBL6566335 0.79 MAPT (0.39) FYNMAPTKDM4EALDH1A1MAOB
SCHEMBL16925411 0.79 MAPT (0.48) FYNMAPTKDM4EALDH1A1BACE1
SCHEMBL19617877 0.79 MAPT (0.51) FYNMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL29493390 0.79 MAPT (0.51) FYNMAPTKDM4EALDH1A1SMN1; SMN2

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-4547666-A1 METHODS FOR TREATMENT OF CANCER Frontier Medicines Corporation (US) 2025-05-07 — — EP disclosed
WO-2024006445-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2024-01-04 — — WO disclosed
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