SCHEMBL6897793

SCHEMBL6897793

[Li]C1C(c2ccccn2)=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 4/20 0.39
ALOX15 P16050 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 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
Hydrochloric Acid SCHEMBL6903767 0.81 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7063758 0.79 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6902452 0.79 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7061664 0.79 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7061668 0.77 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7064228 0.77 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7063759 0.77 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL30649201 0.68 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.66 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP disclosed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed
EP-1033371-A1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins TARGOR GmbH (DE) 2000-09-06 EP disclosed