SCHEMBL8677341

SCHEMBL8677341

CC[Zr](Cl)(Cl)(C1C=Cc2ccccc21)C1C(C)=Cc2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
PIK3CD O00329 1/20 0.31
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
PFKFB3 Q16875 1/20 0.30
BIRC5 O15392 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSNK1G2 P78368 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
MAP4K5 Q9Y4K4 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
SCHEMBL8679081 0.86 BRD4 (0.34) BRD4CREBBPPDGFRBPDGFRAPFKFB3
Hydrochloric Acid SCHEMBL8679084 0.84 BRD4 (0.35) BRD4CREBBPPDGFRBPDGFRAPFKFB3
SCHEMBL8675796 0.84 BRD4 (0.33) BRD4CREBBPPFKFB3PARP10PARP11
SCHEMBL8675857 0.83 BRD4 (0.32) BRD4CREBBPPARP10PARP11
Hydrochloric Acid SCHEMBL8675798 0.82 BRD4 (0.33) BRD4CREBBPPDGFRBPDGFRAPFKFB3
SCHEMBL8675379 0.82 BRD4 (0.33) BRD4CREBBPPDGFRBPDGFRAPFKFB3
SCHEMBL8677214 0.81 BRD4 (0.33) BRD4CREBBPHSP90AA1
Hydrochloric Acid SCHEMBL8675858 0.81 BRD4 (0.33) BRD4CREBBPPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL8677217 0.80 BRD4 (0.33) BRD4CREBBPPDGFRBPDGFRAPFKFB3
SCHEMBL8679072 0.78 BRD4 (0.33) BRD4CREBBP

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 claimed