SCHEMBL28429409

SCHEMBL28429409

CCO[Si](OCC)(OCC)c1cc(N)cc(N)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL315824 0.83
SCHEMBL20503695 0.80 KDM4E (0.32) KDM4EMAPTGAAALDH1A1TP53
SCHEMBL434177 0.79 CYP3A4 (0.48) KDM4EMAPTGAAALDH1A1TP53
SCHEMBL30022263 0.79 CYP3A4 (0.48) KDM4EMAPTGAAALDH1A1TP53
SCHEMBL9723794 0.79 ALDH1A1 (0.41) KDM4EMAPTGAAALDH1A1TSHR
SCHEMBL3482069 0.79 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL483106 0.77 TDP1 (0.46) KDM4EMAPTGAAALDH1A1TP53
SCHEMBL19631022 0.77 KDM4E (0.36) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL13027895 0.74 NOS3 (0.30)
SCHEMBL5837493 0.73 IDO1 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218321-B Polyamide acid and preparation method thereof, polyimide heat-conducting film and preparation method thereof 吉林大学 2020-07-24 CN claimed
CN-110218321-B Polyamide acid and preparation method thereof, polyimide heat-conducting film and preparation method thereof 吉林大学 2020-07-24 CN disclosed