Sugi Predict

Sugi Predict / Compounds / SCHEMBL8679059

SCHEMBL8679059

SCHEMBL8679059

C[SiH](C)[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)C1C([Si](C)(C)C)=Cc2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ PFKFB3 Q16875 1/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.30
▸ PARP11 Q9NR21 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
SCHEMBL8674280 0.91 PFKFB3 (0.34) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8674300 0.89 PFKFB3 (0.33) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8675330 0.89 PFKFB3 (0.32) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8674622 0.87 BRD4 (0.32) BRD4CREBBPPFKFB3
Hydrochloric Acid SCHEMBL8679061 0.85 BRD4 (0.34) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8674380 0.84 PFKFB3 (0.33) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8674706 0.83 PFKFB3 (0.35) BRD4CREBBPPFKFB3TDP2PARP10
SCHEMBL8674406 0.81 BRD4 (0.38) BRD4CREBBPPFKFB3TDP2PARP10
Hydrochloric Acid SCHEMBL8675333 0.78 BRD4 (0.33) BRD4CREBBPPFKFB3TDP2PARP10
Hydrochloric Acid SCHEMBL8674282 0.77 PFKFB3 (0.35) BRD4CREBBPPFKFB3TDP2PARP10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 — — US claimed
US-5840947-A Organometallic compound TARGOR GMBH (DE) 1998-11-24 — — US disclosed