SCHEMBL25166431

SCHEMBL25166431

CNc1cc(C)nc(Nc2cc(Br)c3c(c2)OCO3)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ EHMT2 Q96KQ7 12/20 0.38
▸ EHMT1 Q9H9B1 11/20 0.38
▸ LMNA P02545 1/20 0.37
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IGF1R P08069 2/20 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
SCHEMBL30330177 1.00 HAVCR2 (0.41) HAVCR2KCNH2KDM4EALDH1A1HPGD
SCHEMBL25166581 0.85 HAVCR2 (0.43) HAVCR2KCNH2KDM4EALDH1A1HPGD
SCHEMBL30329812 0.85 HAVCR2 (0.43) HAVCR2KCNH2KDM4EALDH1A1HPGD
SCHEMBL30329683 0.81 ALDH1A1 (0.39) HAVCR2KCNH2KDM4EALDH1A1HPGD
SCHEMBL25166003 0.81 ALDH1A1 (0.39) HAVCR2KCNH2KDM4EALDH1A1HPGD
SCHEMBL25166205 0.79 EHMT2 (0.39) ALDH1A1EHMT2EHMT1APOBEC3AAPOBEC3G
SCHEMBL30329697 0.79 EHMT2 (0.39) ALDH1A1EHMT2EHMT1APOBEC3AAPOBEC3G
SCHEMBL30329827 0.78 EHMT2 (0.34) ALDH1A1EHMT2EHMT1APOBEC3AAPOBEC3G
SCHEMBL25166653 0.78 EHMT2 (0.34) ALDH1A1EHMT2EHMT1APOBEC3AAPOBEC3G
SCHEMBL25166482 0.77 ALDH1A1 (0.38) HAVCR2KCNH2KDM4EALDH1A1HPGD

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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