SCHEMBL7049009

SCHEMBL7049009

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
BRD4 O60885 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
USP30 Q70CQ3 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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 SCHEMBL7129750 0.99 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL6064049 0.99 CHRNB2 (0.33) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL7046629 0.94 CHRNB2 (0.35) CHRNB2CHRNA4BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL6063831 0.93 CHRNB2 (0.34) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL6434163 0.90 BRD4 (0.34) CHRNB2CHRNA4BRD4PDCD1CD274
SCHEMBL5187746 0.82 CYP2D6 (0.32)
Hydrochloric Acid SCHEMBL6039867 0.80
SCHEMBL6441149 0.79 BRD4 (0.33) BRD4
SCHEMBL6434202 0.79 ALDH1A1 (0.33)
SCHEMBL6658743 0.77 HTR7 (0.33) HTR1AHTR7

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-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed