SCHEMBL25166176

SCHEMBL25166176

CNc1cc(C)nc(Nc2cc3c(c(Br)c2C)OCC3)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EHMT2 Q96KQ7 15/20 0.34
▸ EHMT1 Q9H9B1 14/20 0.34
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL30329732 1.00 ALDH1A1 (0.35) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL25166447 0.93 EHMT2 (0.35) ALDH1A1MAPTEHMT2EHMT1IGF1R
SCHEMBL30329702 0.93 EHMT2 (0.35) ALDH1A1MAPTEHMT2EHMT1IGF1R
SCHEMBL30329850 0.88 ALDH1A1 (0.34) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL25166161 0.88 EHMT2 (0.36) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL30329924 0.88 EHMT2 (0.36) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL25166027 0.88 ALDH1A1 (0.34) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL25166700 0.84 ALDH1A1 (0.36) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL30329725 0.84 ALDH1A1 (0.36) ALDH1A1MAPTEHMT2EHMT1NOS3
SCHEMBL25166205 0.82 EHMT2 (0.39) ALDH1A1MAPTEHMT2EHMT1IGF1R

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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