SCHEMBL5810882

SCHEMBL5810882

COC(=O)c1ccc(/C=C(/COc2cccc3ccccc23)CN(C)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ P2RX3 P56373 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ OGG1 O15527 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ MAPT P10636 2/20 0.39

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
SCHEMBL5797651 1.00 HTR1D (0.47) HTR1DHTR1BP2RX3KDM4EALDH1A1
SCHEMBL5810743 0.91 HTR1D (0.50) HTR1DHTR1BP2RX3KDM4EALDH1A1
SCHEMBL5797711 0.91 HTR1D (0.50) HTR1DHTR1BP2RX3KDM4EALDH1A1
SCHEMBL5795711 0.90 P2RX3 (0.57) HTR1DHTR1BP2RX3KDM4EALDH1A1
SCHEMBL12113452 0.84 ALDH1A1 (0.49) P2RX3KDM4EALDH1A1MEN1KMT2A
SCHEMBL1306778 0.84 ALDH1A1 (0.49) P2RX3KDM4EALDH1A1MEN1KMT2A
SCHEMBL1306780 0.84 ALDH1A1 (0.49) P2RX3KDM4EALDH1A1MEN1KMT2A
SCHEMBL12113454 0.82 ALDH1A1 (0.47) P2RX3KDM4EALDH1A1MEN1KMT2A
SCHEMBL1306406 0.82 ALDH1A1 (0.47) P2RX3KDM4EALDH1A1MEN1KMT2A
SCHEMBL1306405 0.82 ALDH1A1 (0.47) P2RX3KDM4EALDH1A1MEN1KMT2A

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
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 — — WO disclosed
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