SCHEMBL29958329

SCHEMBL29958329

c1cc(OCc2cn3cc(C4CC4)ccc3n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ GRM5 P41594 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ METTL3 Q86U44 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KLKB1 P03952 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL24729570 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ENPC1RAB9AGRM5
SCHEMBL24729569 0.84 METTL3 (0.39) SMN1; SMN2KDM4ENPC1RAB9AGRM5
SCHEMBL29957835 0.84 METTL3 (0.38) METTL3KLKB1
SCHEMBL24729668 0.82 METTL3 (0.39) SMN1; SMN2KDM4ENPC1RAB9AMETTL3
SCHEMBL29303099 0.81 KLKB1 (0.39) METTL3KLKB1
SCHEMBL30997865 0.81 KLKB1 (0.39) METTL3KLKB1
SCHEMBL24729661 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL29141754 0.79 METTL3 (0.41) KDM4EMETTL3KLKB1
SCHEMBL24738256 0.78 KLKB1 (0.38) SMN1; SMN2KDM4ENPC1RAB9AGRM5
SCHEMBL30711687 0.78 KLKB1 (0.39) METTL3KLKB1

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-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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