SCHEMBL6902452

SCHEMBL6902452

C1=C(c2ccccn2)C([Zr]C2C(c3ccccn3)=Cc3ccccc32)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
METAP1 P53582 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 5/20 0.37
TP53 P04637 4/20 0.37
RAB9A P51151 4/20 0.37

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
SCHEMBL6897793 0.79 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6900082 0.78 CCR1 (0.43) CCR1CCR5CCR8NPC1TP53
Hydrochloric Acid SCHEMBL6903767 0.78 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7061664 0.77 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7063758 0.77 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6895367 0.75 TGFBR1 (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7063759 0.74 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7061668 0.74 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7064228 0.74 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6898599 0.74 GRM5 (0.34) 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 1 patent. 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 claimed