SCHEMBL21861650

SCHEMBL21861650

CNC(=O)c1c(N(C)C=O)ncn1CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20079819 0.71 SMN1; SMN2 (0.46) LMNAALDH1A1
SCHEMBL9010481 0.68 CYP2C19 (0.34) ADORA2B
SCHEMBL10280149 0.65 TRPA1 (0.36) HDAC6
SCHEMBL18656389 0.64 APOBEC3A (0.41) —
SCHEMBL22902731 0.61 APOBEC3A (0.37) ALDH1A1
SCHEMBL21861648 0.61 RAB9A (0.38) LMNAKDM4EALDH1A1
SCHEMBL6092162 0.60 APOBEC3A (0.36) ALDH1A1
SCHEMBL19036600 0.59 YTHDC1 (0.37) —
SCHEMBL19036512 0.58 P2RY1 (0.37) HDAC6
SCHEMBL19245922 0.58 CYP11B2 (0.37) —

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
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 — — EP disclosed
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