SCHEMBL21394579

SCHEMBL21394579

CC1=NN(C)C(=O)C(C)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RIPK1 Q13546 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 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
SCHEMBL21383987 0.69 BRD4 (0.33) KDM4EALDH1A1GAA
SCHEMBL11249244 0.67 KDM4E (0.48) PDE4DKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL20138860 0.66 SMN1; SMN2 (0.50) PDE4DKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL21395225 0.66 TP53 (0.37) GAA
SCHEMBL20139038 0.66 KDM4E (0.50) PDE4DKDM4EALDH1A1SMN1; SMN2PDE4A
SCHEMBL8930592 0.65 — —
Hydrochloric Acid SCHEMBL30231063 0.64 LOX (0.46) PDE4DALDH1A1SMN1; SMN2GAA
SCHEMBL2021592 0.62 — —
SCHEMBL10182573 0.62 — —
SCHEMBL4181392 0.62 — —

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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