SCHEMBL8675857

SCHEMBL8675857

CC1=Cc2c(-c3cnc4ccccc4c3)cccc2C1[Zr](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
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
SCHEMBL8675796 0.93 BRD4 (0.33) BRD4CREBBPPARP10PARP11
SCHEMBL8679081 0.92 BRD4 (0.34) BRD4CREBBPPARP10PARP11
SCHEMBL8679024 0.90 PARP10 (0.35) BRD4CREBBPPARP10PARP11
SCHEMBL8677908 0.83 BRD4 (0.33) BRD4CREBBP
SCHEMBL8674598 0.83 PARP10 (0.35) BRD4CREBBPPARP10PARP11
SCHEMBL8677341 0.83 BRD4 (0.34) BRD4CREBBPPARP10PARP11
SCHEMBL8677098 0.82 BRD4 (0.35) BRD4CREBBP
SCHEMBL5953421 0.82 PARP10 (0.37) BRD4CREBBPPARP10PARP11
SCHEMBL8677214 0.82 BRD4 (0.33) BRD4CREBBP
Hydrochloric Acid SCHEMBL8679084 0.81 BRD4 (0.35) BRD4CREBBPPARP10PARP11

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