SCHEMBL25166186

SCHEMBL25166186

CNc1cc(C)nc(Nc2cc3c(c(C4=CCNCCC4)c2)OCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 10/20 0.51
▸ EHMT1 Q9H9B1 10/20 0.51
▸ KCNH2 Q12809 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HAVCR2 Q8TDQ0 1/20 0.31

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
SCHEMBL30330220 1.00 EHMT2 (0.51) EHMT2EHMT1KCNH2NPC1RAB9A
SCHEMBL30329919 0.93 EHMT2 (0.51) EHMT2EHMT1SMN1; SMN2
SCHEMBL25166190 0.93 EHMT2 (0.51) EHMT2EHMT1SMN1; SMN2
SCHEMBL30330204 0.87 EHMT2 (0.68) EHMT2EHMT1KCNH2HAVCR2
SCHEMBL25166432 0.87 EHMT2 (0.68) EHMT2EHMT1KCNH2HAVCR2
SCHEMBL25165900 0.85 EHMT2 (0.51) EHMT2EHMT1
SCHEMBL25166244 0.82 EHMT2 (0.49) EHMT2EHMT1NPC1RAB9AKMT2A
SCHEMBL30329788 0.82 EHMT2 (0.49) EHMT2EHMT1NPC1RAB9AKMT2A
SCHEMBL31168666 0.80 EHMT2 (0.49) EHMT2EHMT1
SCHEMBL25166159 0.79 EHMT2 (0.68) EHMT2EHMT1HAVCR2

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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