SCHEMBL6236001

SCHEMBL6236001

Cc1cccc(C)c1N=CCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 1/20 0.37
HRH1 P35367 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3693189 0.88 BRD4 (0.40) HRH3HRH1KDM4EBRD4L3MBTL1
SCHEMBL16098424 0.87 SYK (0.48) SCN8ASYKKDM4ELMNAALDH1A1
SCHEMBL3693124 0.87 HRH3 (0.40) HRH3HRH1LMNATAAR1ALDH1A1
SCHEMBL16097814 0.85 SYK (0.39) SCN8ASYKKDM4EL3MBTL1
Bromide SCHEMBL3698848 0.85 BRD4 (0.39) HRH3HRH1KDM4EBRD4L3MBTL1
Hydrochloric Acid SCHEMBL3692252 0.85 BRD4 (0.39) HRH3KDM4ELMNATAAR1ALDH1A1
Bromide SCHEMBL3697770 0.85 BRD4 (0.39) HRH3HRH1KDM4EBRD4L3MBTL1
Hydrochloric Acid SCHEMBL3691385 0.85 BRD4 (0.39) HRH3KDM4ELMNATAAR1ALDH1A1
Hydrochloric Acid SCHEMBL3691223 0.85 BRD4 (0.39) HRH3KDM4ELMNATAAR1ALDH1A1
Bromide SCHEMBL3695596 0.85 BRD4 (0.39) HRH3HRH1KDM4EBRD4L3MBTL1

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed