SCHEMBL6903734

SCHEMBL6903734

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C1C(C)=Cc2c(-c3ccccc3)cccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BRD4 O60885 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL7050089 0.89 BRD4 (0.30) BRD4
SCHEMBL29442977 0.87 BRD4 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL215863 0.87 BRD4 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL819254 0.86 BRD4 (0.31) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL5363333 0.84 BRD4 (0.31) BRD4PDCD1CD274
SCHEMBL5709182 0.82 PDCD1 (0.34) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL5360910 0.82 BRD4 (0.31) BRD4PDCD1CD274
SCHEMBL1531658 0.81 HTR1A (0.30) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL9069407 0.81
SCHEMBL3163967 0.81 BRD4 (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1

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
US-20040138392-A1 polyolefin adhesives; to produce reactor blends (also called intimate blends) of various polymers and other polymer compositions. EXXONMOBIL CHEMICAL PATENTS INC. 2004-07-15 US disclosed