SCHEMBL25166015

SCHEMBL25166015

CNc1cc(C)nc(Nc2cc3c(c(Br)c2Cl)OCO3)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ EPHB4 P54760 7/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.35
▸ EHMT2 Q96KQ7 4/20 0.35
▸ EHMT1 Q9H9B1 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IGF1R P08069 1/20 0.33
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL30329661 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL25166233 0.91 EHMT2 (0.35) ALDH1A1EHMT2EHMT1MAPTIGF1R
SCHEMBL30330078 0.91 EHMT2 (0.35) ALDH1A1EHMT2EHMT1MAPTIGF1R
SCHEMBL30329683 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL25166003 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL25166482 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL30329841 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL25166161 0.81 EHMT2 (0.36) ALDH1A1EHMT2EHMT1MAPTIGF1R
SCHEMBL30329924 0.81 EHMT2 (0.36) ALDH1A1EHMT2EHMT1MAPTIGF1R
SCHEMBL25166012 0.79 EHMT2 (0.37) ALDH1A1EHMT2EHMT1MAPTIGF1R

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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