SCHEMBL21579082

SCHEMBL21579082

Cc1ccc(C2(n3c(-c4ccc([Si](C)(C)C)cc4)nc(-c4ccccc4)c3-c3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
AKT1 P31749 14/20 0.37
AKT2 P31751 14/20 0.37
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL16503665 0.86 AKT1 (0.35) TDP1AKT1AKT2
SCHEMBL1613142 0.84 BCHE (0.35) TDP1AKT1AKT2ALDH1A1
SCHEMBL16746556 0.83 MGAM (0.42) AKT1AKT2
SCHEMBL31734214 0.82 KDM4E (0.43) AKT1AKT2ADORA3ADORA2AADORA1
SCHEMBL16503705 0.82 BCHE (0.34) AKT1AKT2ALDH1A1
SCHEMBL30089720 0.82 LMNA (0.47) TDP1AKT1AKT2ALDH1A1ADORA3
SCHEMBL16503670 0.81 AKT1 (0.34) AKT1AKT2
SCHEMBL14524165 0.80 AKT1 (0.45) AKT1AKT2ALDH1A1
SCHEMBL11910238 0.77 AKT1 (0.33) AKT1AKT2ALDH1A1
SCHEMBL14509985 0.75 DPP4 (0.39) ALDH1A1ADORA1

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-2019221051-A1 POLYMER COMPOUND HAVING LOPHINE STRUCTURE 国立大学法人 東京大学 (JP) 2019-11-21 WO disclosed