SCHEMBL4126683

SCHEMBL4126683

NC(=S)N1CCOc2cc(F)c(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL1856513 0.81 PDK1 (0.35) LMNAPDK1SLC22A6SLC22A8SLC22A12
SCHEMBL29221672 0.81 LMNA (0.43) LMNASLC22A6SLC22A8SLC22A12CYP11B2
SCHEMBL23407655 0.79 NOTUM (0.54) LMNACYP11B2NOTUMMAPT
SCHEMBL303424 0.78 LMNA (0.46) LMNAPDK1SLC22A6SLC22A8SLC22A12
SCHEMBL304544 0.78 PDK1 (0.43) LMNAPDK1SLC22A6SLC22A8SLC22A12
SCHEMBL25735599 0.76 PKM (0.36) LMNAPKMMAOBBACE1
SCHEMBL20564040 0.73 ALDH1A1 (0.45) CYP11B2PKMNOTUMALDH1A1L3MBTL1
SCHEMBL30955813 0.73 EGFR (0.43) LMNASLC22A6SLC22A8SLC22A12PKM
SCHEMBL31693942 0.70 EGFR (0.43) LMNASLC22A6SLC22A8SLC22A12PKM
SCHEMBL21603255 0.70 EGFR (0.43) LMNASLC22A6SLC22A8SLC22A12PKM

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-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
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