SCHEMBL6901129

SCHEMBL6901129

CC(C)(C)c1cccc2c1C=C(c1ccccn1)C2[Zr]C1C(c2ccccn2)=Cc2c1cccc2C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.35
KDM4E B2RXH2 4/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL6904291 0.82 CCR1 (0.37) CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6903454 0.82 KDM4E (0.33) SQORKDM4ELMNATP53CCR1
SCHEMBL6900002 0.81 TRPV1 (0.39) KDM4EPOLBHIF1ANPC1ALDH1A1
SCHEMBL6898599 0.79 GRM5 (0.34) KDM4ELMNATP53CCR1CCR5
SCHEMBL6900038 0.79 HTT (0.34) KDM4ELMNATP53CCR1CCR5
SCHEMBL6895367 0.77 TGFBR1 (0.38) KDM4ELMNATP53CCR1CCR5
SCHEMBL6903610 0.76 PKM (0.40) KDM4ELMNATP53CCR1CCR5
SCHEMBL6901048 0.74 KDM4E (0.46) KDM4ELMNATP53CCR1CCR5
SCHEMBL6901820 0.74 PKM (0.32) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL6903067 0.74 NPC1 (0.34) KDM4ESMN1; SMN2TDP1CYP1A2POLB

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