SCHEMBL28489133

SCHEMBL28489133

CNC=C1C(=O)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.47
TOP2A P11388 1/20 0.47
MIF P14174 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.40
STK17B O94768 4/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28489101 0.81 TOP1 (0.44) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL27822999 0.79 TOP1 (0.51) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL8445731 0.75 TOP1 (0.56) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL14273164 0.75 TOP1 (0.56) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL30671756 0.74 TOP1 (0.47) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL30671755 0.74 TOP1 (0.47) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL14733192 0.74 TOP1 (0.47) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL711838 0.74 TOP1 (0.47) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL29391221 0.74 TOP1 (0.47) TOP1TOP2AMIFALDH1A1MEN1
SCHEMBL28489722 0.74 ALDH1A1 (0.58) TOP1TOP2AMIFALDH1A1MEN1

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-108558818-B Preparation method of methoxymethyl alkenyl compound 帕潘纳(北京)科技有限公司 2020-08-28 CN claimed
CN-108558818-B Preparation method of methoxymethyl alkenyl compound 帕潘纳(北京)科技有限公司 2020-08-28 CN disclosed