SCHEMBL25166161

SCHEMBL25166161

CNc1cc(C)nc(Nc2cc3c(c(Br)c2Cl)OCC3)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 12/20 0.36
▸ EHMT1 Q9H9B1 11/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IGF1R P08069 2/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL30329924 1.00 EHMT2 (0.36) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166012 0.93 EHMT2 (0.37) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329693 0.93 EHMT2 (0.37) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329732 0.88 ALDH1A1 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166176 0.88 ALDH1A1 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166027 0.86 ALDH1A1 (0.34) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30329850 0.86 ALDH1A1 (0.34) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166233 0.85 EHMT2 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL30330078 0.85 EHMT2 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R
SCHEMBL25166447 0.82 EHMT2 (0.35) EHMT2EHMT1ALDH1A1MAPTIGF1R

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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