SCHEMBL8675796

SCHEMBL8675796

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
PFKFB3 Q16875 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL8675857 0.93 BRD4 (0.32) BRD4CREBBPPARP10PARP11
SCHEMBL8679081 0.91 BRD4 (0.34) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8674598 0.90 PARP10 (0.35) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8677341 0.84 BRD4 (0.34) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8679024 0.83 PARP10 (0.35) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8677908 0.82 BRD4 (0.33) BRD4CREBBP
Hydrochloric Acid SCHEMBL8679084 0.82 BRD4 (0.35) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8677098 0.81 BRD4 (0.35) BRD4CREBBP
Hydrochloric Acid SCHEMBL8675798 0.81 BRD4 (0.33) BRD4CREBBPPFKFB3
SCHEMBL8675379 0.81 BRD4 (0.33) BRD4CREBBPPFKFB3

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