SCHEMBL20606958

SCHEMBL20606958

Nc1cc(Cl)nc(OCC(F)F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 2/20 0.33
▸ PDE8A O60658 4/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL20606998 0.81 MBOAT4 (0.36) MBOAT4PDE8APDE2APDE4DKCNH2
SCHEMBL20607008 0.79 PDE4D (0.39) PDE4D
SCHEMBL20607010 0.78 MBOAT4 (0.34) MBOAT4
SCHEMBL25364522 0.73 HSP90AA1 (0.36) —
SCHEMBL30496052 0.73 HSP90AA1 (0.36) —
SCHEMBL28247334 0.72 HPGD (0.39) MBOAT4PDE8A
SCHEMBL30977446 0.70 MBOAT4 (0.39) MBOAT4
SCHEMBL20606997 0.69 PDE8A (0.36) PDE8APDE2APDE4DKCNH2PDE10A
SCHEMBL31168015 0.69 PDE8A (0.36) PDE8APDE2APDE4DKCNH2PDE10A
SCHEMBL29082185 0.68 MBOAT4 (0.34) MBOAT4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — EP disclosed
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — EP disclosed
EP-3423445-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS Galapagos NV (BE) 2019-01-09 — — EP disclosed
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