SCHEMBL7349712

SCHEMBL7349712

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2Cc3ccccc3C2)C1c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.51
ADORA2B P29275 7/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
APEX1 P27695 1/20 0.44
ESR2 Q92731 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7347553 0.85 KDM4E (0.59) KDM4EPOLBTDP1ALDH1A1MAPT
SCHEMBL10373798 0.83 KDM4E (0.60) KDM4EPOLBTDP1ADORA2BALDH1A1
SCHEMBL7341261 0.82 KDM4E (0.67) KDM4EPOLBTDP1ADORA2BALDH1A1
SCHEMBL27395888 0.82 KDM4E (0.84) KDM4EPOLBTDP1ADORA2BALDH1A1
SCHEMBL7347855 0.82 MAPT (0.51) KDM4EPOLBTDP1ALDH1A1MAPT
SCHEMBL7348023 0.81 CACNA1C (0.48) KDM4ETDP1ALDH1A1MAPTNPSR1
SCHEMBL7349519 0.81 ADORA3 (0.57) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL7340139 0.81 ADORA3 (0.47) KDM4ETDP1ALDH1A1MAPTADORA3
SCHEMBL7342397 0.81 ADORA3 (0.47) KDM4ETDP1ALDH1A1MAPTADORA3
SCHEMBL7343547 0.81 ADORA3 (0.47) KDM4ETDP1ALDH1A1MAPTNPSR1

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
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed