SCHEMBL18978299

SCHEMBL18978299

Nc1ccc(-c2nc3ccccn3c2CN2CC3CNCC3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.56
▸ KCNK3 O14649 17/20 0.52
▸ KCNK9 Q9NPC2 17/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 1/20 0.50

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
SCHEMBL18978247 0.89 KDM4E (0.67) SLC2A1KCNK3KCNK9KDM4EGAA
SCHEMBL18952196 0.89 KCNK3 (0.65) KCNK3KCNK9
SCHEMBL21360488 0.88 KCNK3 (0.67) SLC2A1KCNK3KCNK9KDM4E
Hydrochloric Acid SCHEMBL20591029 0.88 KDM4E (0.65) SLC2A1KCNK3KCNK9KDM4EGAA
Hydrochloric Acid SCHEMBL18952374 0.88 KCNK3 (0.64) KCNK3KCNK9
SCHEMBL19807762 0.74 KCNK3 (0.62) SLC2A1KCNK3KCNK9KDM4EGAA
SCHEMBL29458055 0.74 KCNK3 (0.67) SLC2A1KCNK3KCNK9KDM4EGAA
SCHEMBL31020938 0.74 KCNK3 (0.70) SLC2A1KCNK3KCNK9
SCHEMBL22916193 0.73 KDM4E (0.67) SLC2A1KCNK3KCNK9KDM4EGAA
SCHEMBL19807626 0.73 KCNK3 (0.62) SLC2A1KCNK3KCNK9

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
WO-2017097671-A1 SUBSTITUTED PERHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND THE USE OF SAME BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-15 — — WO disclosed
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