SCHEMBL5693496

SCHEMBL5693496

CC(=Nc1c(C)cc(C)cc1C)c1cnccn1.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
HSP90AA1 P07900 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5589322 0.98 GAA (0.45) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5693482 0.84 KMT2A (0.41) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5587785 0.83 KMT2A (0.42) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5587690 0.80 HCAR2 (0.32) GAAKDM4EHCAR2MAPT
SCHEMBL5587694 0.80 HCAR2 (0.32) GAAKDM4EHCAR2MAPT
SCHEMBL5693499 0.78 KDM4E (0.53) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5588882 0.76 KDM4E (0.54) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18896034 0.76 KDM4E (0.54) GAANPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7176713 0.75 KDM4E (0.31) GAAKDM4EMAPT
Hydrochloric Acid SCHEMBL7180404 0.75 KDM4E (0.31) GAAKDM4EMAPT

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
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
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