SCHEMBL25166156

SCHEMBL25166156

CNc1cc(C)nc(Nc2cc(O)c3c(c2)OCCO3)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EHMT2 Q96KQ7 13/20 0.38
▸ EHMT1 Q9H9B1 12/20 0.38
▸ IGF1R P08069 2/20 0.37
▸ HAVCR2 Q8TDQ0 1/20 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

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
SCHEMBL30329759 1.00 ABCB1 (0.38) ABCB1ABCC1ABCG2APOBEC3AAPOBEC3G
SCHEMBL25166581 0.90 HAVCR2 (0.43) APOBEC3AAPOBEC3GL3MBTL1EHMT2EHMT1
SCHEMBL30329812 0.90 HAVCR2 (0.43) APOBEC3AAPOBEC3GL3MBTL1EHMT2EHMT1
SCHEMBL30329752 0.82 ABCB1 (0.40) ABCB1ABCC1ABCG2L3MBTL1ALDH1A1
SCHEMBL25166672 0.78 APOBEC3A (0.36) APOBEC3AAPOBEC3GL3MBTL1EHMT2EHMT1
SCHEMBL31108019 0.75 EHMT2 (0.37) ABCB1ABCC1ABCG2EHMT2EHMT1
SCHEMBL30329966 0.75 EHMT2 (0.37) ABCB1ABCC1ABCG2EHMT2EHMT1
SCHEMBL25166431 0.75 HAVCR2 (0.41) APOBEC3AAPOBEC3GL3MBTL1EHMT2EHMT1
SCHEMBL30330177 0.75 HAVCR2 (0.41) APOBEC3AAPOBEC3GL3MBTL1EHMT2EHMT1
SCHEMBL25166700 0.74 ALDH1A1 (0.36) ABCB1ABCC1ABCG2EHMT2EHMT1

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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