SCHEMBL24041741

SCHEMBL24041741

Oc1ccc(CCn2cnc3cc(F)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ PRPS1 P60891 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ MET P08581 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ CNOT7 Q9UIV1 1/20 0.39
▸ MGAT2 Q10469 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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 SCHEMBL30457744 0.99 PKM (0.49) PKMHTTPRPS1KMT2AMAPT
Hydrochloric Acid SCHEMBL29006843 0.99 PKM (0.49) PKMHTTPRPS1KMT2AMAPT
SCHEMBL24041847 0.91 PKM (0.43) PKMHTTPRPS1KMT2AMAPT
Hydrochloric Acid SCHEMBL30457528 0.89 PKM (0.42) PKMHTTPRPS1KMT2AMAPT
Hydrochloric Acid SCHEMBL29006858 0.89 PKM (0.42) PKMHTTPRPS1KMT2AMAPT
SCHEMBL24041738 0.86 MET (0.53) HTTQPCTQPCTLMETHDAC1
Hydrochloric Acid SCHEMBL29006860 0.84 PKM (0.39) PKMHTTPRPS1KMT2AMAPT
SCHEMBL11313566 0.80 HTT (0.77) PKMHTTTDP1
Hydrochloric Acid SCHEMBL29006871 0.78 HTT (0.74) PKMHTTALPLALPGTDP1
Hydrochloric Acid SCHEMBL30341872 0.78 HTT (0.74) PKMHTTALPLALPGTDP1

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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