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SCHEMBL7935166

SCHEMBL7935166

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)(=[SiH2])(Cl)(Cl)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 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
SCHEMBL5067417 0.90 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4HTR1A
SCHEMBL7597789 0.86 PDCD1 (0.30) PDCD1CD274
SCHEMBL5352550 0.86 PDCD1 (0.30) PDCD1CD274
SCHEMBL7643714 0.85 PDCD1 (0.32) PDCD1CD274CYP2A6CHRNB2CHRNA4
SCHEMBL8830685 0.85 PDCD1 (0.32) PDCD1CD274CYP2A6CHRNB2CHRNA4
SCHEMBL7719075 0.85 PDCD1 (0.32) PDCD1CD274CYP2A6CHRNB2CHRNA4
SCHEMBL19460653 0.85 — —
SCHEMBL7886098 0.84 PDCD1 (0.31) PDCD1CD274
SCHEMBL2856357 0.83 PDCD1 (0.30) PDCD1CD274
SCHEMBL7878211 0.82 PDCD1 (0.31) PDCD1CD274

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-6201069-B1 POLYPROPYLENE AND ETHYLENE-PROPYLENE COPOLYMER BLENDS CHISSO CORPORATION (JP) 2001-03-13 — — US disclosed