SCHEMBL25166384

SCHEMBL25166384

CNc1cc(C)nc(Nc2cc3c(c(Br)c2F)OCC3C)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 4/20 0.34
▸ EHMT1 Q9H9B1 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IGF1R P08069 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL30329952 1.00 EHMT2 (0.34) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329859 0.89 EHMT2 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166183 0.89 EHMT2 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329841 0.79 ALDH1A1 (0.38) EHMT2EHMT1ALDH1A1MAPT
SCHEMBL25166080 0.79 ALDH1A1 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329937 0.79 ALDH1A1 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166482 0.79 ALDH1A1 (0.38) EHMT2EHMT1ALDH1A1MAPT
SCHEMBL30329850 0.78 ALDH1A1 (0.34) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166027 0.78 ALDH1A1 (0.34) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166385 0.77 EHMT2 (0.53) EHMT2EHMT1

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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