SCHEMBL29696562

SCHEMBL29696562

O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(C2=CC=C[I+]2)cc2cc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 16/20 0.66
▸ CYP3A4 P08684 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KLKB1 P03952 3/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35

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
SCHEMBL28722468 0.82 CD38 (0.70) CD38CYP3A4KCNH2KLKB1
SCHEMBL29495266 0.82 CD38 (0.70) CD38CYP3A4KCNH2KLKB1
SCHEMBL22932801 0.79 CD38 (1.00) CD38KLKB1
SCHEMBL31484487 0.79 CD38 (1.00) CD38KLKB1
SCHEMBL29696514 0.74 CD38 (1.00) CD38KLKB1
SCHEMBL22932793 0.74 CD38 (1.00) CD38KLKB1
SCHEMBL22946899 0.68 CD38 (1.00) CD38KLKB1
SCHEMBL29696427 0.68 CD38 (1.00) CD38KLKB1
SCHEMBL22936235 0.67 CD38 (0.77) CD38KLKB1
SCHEMBL29696551 0.67 CD38 (0.77) CD38KLKB1

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
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
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