SCHEMBL24041847

SCHEMBL24041847

Oc1ccc(CCOc2ccc(CCn3cnc4cc(F)ccc43)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ HTT P42858 3/20 0.41
▸ PRPS1 P60891 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
Hydrochloric Acid SCHEMBL29006858 0.99 PKM (0.42) PKMLTA4HHTTPRPS1KMT2A
Hydrochloric Acid SCHEMBL30457528 0.99 PKM (0.42) PKMLTA4HHTTPRPS1KMT2A
SCHEMBL24041741 0.91 PKM (0.50) PKMHTTPRPS1KMT2AMAPT
Hydrochloric Acid SCHEMBL30457744 0.89 PKM (0.49) PKMHTTPRPS1KMT2AMAPT
Hydrochloric Acid SCHEMBL29006843 0.89 PKM (0.49) PKMHTTPRPS1KMT2AMAPT
SCHEMBL24041837 0.89 KDM4E (0.47) PKMLTA4HHTTKMT2ASMN1; SMN2
SCHEMBL24041777 0.83 HTT (0.62) LTA4HHTTKMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL30457596 0.82 HTT (0.60) LTA4HHTTKMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL29006865 0.82 HTT (0.60) LTA4HHTTKMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL29006860 0.82 PKM (0.39) PKMHTTPRPS1KMT2ASMN1; 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
WO-2021233994-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-11-25 — — WO disclosed
EP-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 — — EP disclosed
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