SCHEMBL25166016

SCHEMBL25166016

C=C1OCO/C1=C/C(C)Nc1nc(C)cc(NC)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ OGG1 O15527 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
SCHEMBL25166602 0.80 ALDH1A1 (0.34) ALDH1A1NOS3NOS2EHMT2EHMT1
SCHEMBL12411159 0.70 NOS3 (0.48) ALDH1A1NOS3NOS2EHMT2EHMT1
SCHEMBL12499637 0.64 NOS3 (0.58) ALDH1A1NOS3NOS2EHMT2EHMT1
SCHEMBL19709381 0.63 NOS3 (0.41) ALDH1A1NOS3NOS2EHMT2EHMT1
SCHEMBL19147899 0.62 — —
SCHEMBL16608839 0.60 LMNA (0.46) ALDH1A1OGG1
SCHEMBL12411171 0.59 GAA (0.46) ALDH1A1NOS3NOS2
SCHEMBL25166431 0.59 HAVCR2 (0.41) ALDH1A1EHMT2EHMT1KCNH2
SCHEMBL25166581 0.59 HAVCR2 (0.43) ALDH1A1EHMT2EHMT1KCNH2
SCHEMBL30330177 0.59 HAVCR2 (0.41) ALDH1A1EHMT2EHMT1KCNH2

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-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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