SCHEMBL17144869

SCHEMBL17144869

CCc1nc(C(N)=O)c(C(N)=O)n1N1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ TSHR P16473 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.30
▸ POLB P06746 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
SCHEMBL17144873 0.68 LMNA (0.38) LMNACA12CA1CA2CA3
SCHEMBL29154209 0.65 LRRK2 (0.35) LMNACA12CA1CA2CA3
SCHEMBL600282 0.59 BRD4 (0.52) LMNACA12CA1CA2CA3
Acetamide SCHEMBL1694656 0.57 TSHR (0.61) LMNACA12CA1CA2CA3
SCHEMBL28113778 0.57 BRD4 (0.50) LMNACA12CA1CA2CA3
Methylpyrrolidone SCHEMBL27799421 0.55 BRD4 (0.77) LMNACA12CA1CA2CA3
Levetiracetam SCHEMBL118843 0.55 LMNA (1.00) LMNACA12CA1CA2CA3
Etiracetam SCHEMBL373194 0.55 LMNA (1.00) LMNACA12CA1CA2CA3
Levetiracetam SCHEMBL5072485 0.55 LMNA (1.00) LMNACA12CA1CA2CA3
Piracetam SCHEMBL28029064 0.55 TSHR (0.86) LMNACA12CA1CA2CA3

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
EP-3126337-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 — — EP disclosed
WO-2015150449-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 — — WO disclosed
Send feedback