SCHEMBL28352011

SCHEMBL28352011

O=P(O)(O)OP(=O)(O)Oc1ncc2sccc2n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31
DDAH1 O94760 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL9920688 0.71 ADORA2A (0.43) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL17981684 0.62 FDPS (0.33) KDM4EALDH1A1TDP1P2RY2
SCHEMBL30093042 0.62 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL30960690 0.61 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL29861959 0.61 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL30637303 0.61 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL996451 0.61 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL15102970 0.60 FDPS (0.35) TDP1
SCHEMBL4103871 0.60 SRC (0.50) TDP1
SCHEMBL28418285 0.59 SRC (0.41) KDM4EALDH1A1HPGD

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
CN-110573518-A Substituted bicyclic pyrimidinyl compounds, compositions and uses thereof 尤拉·S·赞特里佐斯 2019-12-13 CN disclosed