SCHEMBL4465450

SCHEMBL4465450

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]C1C(C)=Cc2c1ccc1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNF P01375 1/20 0.33
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL4469094 0.92 ALDH1A1 (0.37) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL3404398 0.89 PDCD1 (0.35) ALDH1A1HPGDTSHRMAPK1SMN1; SMN2
SCHEMBL31253552 0.89 PDCD1 (0.35) ALDH1A1HPGDTSHRMAPK1SMN1; SMN2
SCHEMBL5609091 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL7943365 0.86 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7592887 0.85 ALDH1A1 (0.35) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL5678404 0.85 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7983533 0.82 PDCD1 (0.34) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL14905713 0.82 NPC1 (0.33) ALDH1A1HPGDTSHRSMN1; SMN2ENPP3
SCHEMBL7208808 0.81 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTTSHR

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
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed