SCHEMBL28069464

SCHEMBL28069464

C=CCNc1ccccc1B(O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
ENPP2 Q13822 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RRM2 P31350 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL5823951 0.86 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL4784858 0.74 ALDH1A1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL8631283 0.73 CHRM2 (0.51) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL11062628 0.71 KDM4E (0.62) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL28409108 0.70 ALDH1A1 (0.48) SMN1; SMN2MAPTALDH1A1TP53L3MBTL1
SCHEMBL796531 0.70 KMT2A (0.48) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL1485712 0.70 MAPT (0.59) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL26064904 0.69 CA12 (0.41) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL5824157 0.69 KMT2A (0.49) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL11066551 0.69 CFD (0.42) KMT2AGAAMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107446135-B Dynamic polymer with dynamic cross-linked structure 翁秋梅 2020-04-10 CN disclosed
CN-107446135-A A kind of dynamic aggregation thing with dynamic crosslinking structure 翁秋梅 2017-12-08 CN disclosed
CN-105646872-A Dynamic polymer material 翁秋梅 2016-06-08 CN disclosed