SCHEMBL8155498

SCHEMBL8155498

CN(C)c1cccc2c1-c1ccccc1C2[Zr](C)(C)(C1=CC=CC1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 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
SCHEMBL1135092 0.86 MEN1 (0.30) LMNA
SCHEMBL8156144 0.83 NR3C1 (0.40) L3MBTL1
SCHEMBL7942039 0.83 NSD2 (0.31) NSD2ALDH1A1EGFRLMNAMAPT
SCHEMBL8156626 0.81 RAB9A (0.30) PDK2
SCHEMBL7934602 0.81 NSD2 (0.33) NSD2ALDH1A1EGFRLMNAMAPT
Hydrochloric Acid SCHEMBL17743573 0.79 NSD2 (0.32) NSD2ALDH1A1EGFRLMNAMAPT
SCHEMBL1135070 0.76
SCHEMBL8154216 0.75 GAA (0.36) ALDH1A1LMNAMAPTMAPK1TDP1
SCHEMBL8156186 0.74 TTR (0.30)
SCHEMBL6562418 0.73 POLB (0.33)

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-6121396-A USING A METALLOCENE HAVING A SUBSTITUTED FLUORENYL GROUP, AND A COMPOUND REACTING WITH THE METALLOCENE TO FORM A CATIONIC METALLOCENE; HIGH- AND NARROW MOLECULAR WEIGHT; NARROW COMPOSITION DISTRIBUTION; PROCESS TEMPERATURE OF >120 C. TOSOH CORPORATION (JP) 2000-09-19 US disclosed