SCHEMBL30408614

SCHEMBL30408614

C[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.38
▸ AAK1 Q2M2I8 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ LPL P06858 5/20 0.33
▸ LIPG Q9Y5X9 5/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ ADRB2 P07550 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
SCHEMBL24133492 1.00 SLC6A4 (0.38) SLC6A4AAK1CA1CA2CA9
SCHEMBL24133487 1.00 SLC6A4 (0.38) SLC6A4AAK1CA1CA2CA9
SCHEMBL25891327 0.88 LPL (0.48) SLC6A4AAK1CA1CA2CA9
SCHEMBL24133606 0.88 LPL (0.48) SLC6A4AAK1CA1CA2CA9
SCHEMBL26916809 0.83 MET (0.39) SLC6A4AAK1POLB
SCHEMBL26916814 0.83 MET (0.39) SLC6A4AAK1POLB
SCHEMBL29857976 0.83 MET (0.39) SLC6A4AAK1POLB
SCHEMBL25893593 0.82 EGFR (0.30) SLC6A4AAK1EGFR
SCHEMBL31319099 0.78 CA1 (0.35) SLC6A4AAK1CA1CA2CA9
SCHEMBL25706906 0.78 CA1 (0.35) SLC6A4AAK1CA1CA2CA9

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-4452966-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 — — EP disclosed
WO-2023115149-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
EP-4168401-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-04-26 — — EP disclosed
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