SCHEMBL28708571

SCHEMBL28708571

CN(O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.50
MAOB P27338 1/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM5 P41594 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL952396 0.80 RELA (0.54) RELAMAOBGLATDP1GRM5
SCHEMBL5428211 0.80 RELA (0.54) RELAMAOBGLATDP1GRM5
SCHEMBL81307 0.80 RELA (0.54) RELAMAOBGLATDP1GRM5
SCHEMBL5428210 0.80 RELA (0.54) RELAMAOBGLATDP1GRM5
SCHEMBL3765831 0.80 MAOB (0.50) RELAMAOBGLATDP1MAPT
SCHEMBL13335332 0.80 MAOB (0.50) RELAMAOBGLATDP1MAPT
Hydrochloric Acid SCHEMBL9225053 0.78 RELA (0.52) RELAMAOBGLATDP1GRM5
Water SCHEMBL27350733 0.78 RELA (0.52) RELAMAOBGLATDP1GRM5
(Z)-1,2-Diphenylethene SCHEMBL27459562 0.76 RELA (0.68) RELAMAOBGRM5ALDH1A1TTR
Ethylene Glycol SCHEMBL28698002 0.76 RELA (0.45) RELAMAOBGLATDP1GRM5

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-110015962-B Stilbene analogs and methods of treating cancer 肯塔基大学研究基金会 2022-03-15 CN disclosed