SCHEMBL25166547

SCHEMBL25166547

CNc1cc(C)nc(Nc2cc3c(c(N4CC5CNC[C@H]5C4)c2)OCC3)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 13/20 0.37
▸ EHMT1 Q9H9B1 12/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33

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
SCHEMBL25166036 1.00 EHMT2 (0.37) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL30329927 1.00 EHMT2 (0.37) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL25166545 1.00 EHMT2 (0.37) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL25165934 0.85 EHMT2 (0.41) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL30329814 0.85 EHMT2 (0.41) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL30329672 0.82 EHMT2 (0.42) EHMT2EHMT1IGF1RALDH1A1MAPT
SCHEMBL25166033 0.82 EHMT2 (0.42) EHMT2EHMT1IGF1RALDH1A1MAPT
SCHEMBL25166264 0.82 EHMT2 (0.42) EHMT2EHMT1IGF1R
SCHEMBL25166025 0.82 EHMT2 (0.42) EHMT2EHMT1IGF1R
SCHEMBL30329775 0.82 EHMT2 (0.42) EHMT2EHMT1IGF1R

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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