SCHEMBL25166205

SCHEMBL25166205

CNc1cc(C)nc(Nc2cc(Br)c3c(c2)CCO3)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 16/20 0.39
▸ EHMT1 Q9H9B1 15/20 0.39
▸ IGF1R P08069 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30329697 1.00 EHMT2 (0.39) EHMT2EHMT1IGF1RALDH1A1TP53
SCHEMBL30330171 0.93 EHMT2 (0.40) EHMT2EHMT1IGF1RALDH1A1
SCHEMBL25166461 0.93 EHMT2 (0.40) EHMT2EHMT1IGF1RALDH1A1
SCHEMBL30329770 0.86 TAAR1 (0.49) IGF1RALDH1A1TP53MAPTMAPK1
SCHEMBL25166176 0.82 ALDH1A1 (0.35) EHMT2EHMT1IGF1RALDH1A1MAPT
SCHEMBL30329732 0.82 ALDH1A1 (0.35) EHMT2EHMT1IGF1RALDH1A1MAPT
SCHEMBL25166431 0.79 HAVCR2 (0.41) EHMT2EHMT1IGF1RALDH1A1APOBEC3A
SCHEMBL30330177 0.79 HAVCR2 (0.41) EHMT2EHMT1IGF1RALDH1A1APOBEC3A
SCHEMBL25166056 0.78 EHMT2 (0.47) EHMT2EHMT1IGF1R
SCHEMBL25165994 0.78 EHMT2 (0.47) 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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