SCHEMBL7943311

SCHEMBL7943311

COc1ccc([Zr](C2=CC(C)=CC2)=C(c2ccccc2)c2ccccc2)c2c1-c1ccccc1C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7945465 0.83 KDM4E (0.38) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL7934589 0.82 NPC1 (0.37) NPC1RAB9A
Hydrochloric Acid SCHEMBL22607471 0.81 NPC1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL8823196 0.72 KDM4E (0.35) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL7945496 0.71 MAPT (0.46) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL8823165 0.71 MAPT (0.35) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL7196670 0.70 MAPT (0.45) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL7106532 0.69 NPC1 (0.35) NPC1RAB9A
SCHEMBL7102011 0.69 NPC1 (0.35) NPC1RAB9A
Hydrochloric Acid SCHEMBL22607477 0.69 NPC1 (0.41) NPC1RAB9A

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-6316558-B1 POLYMERIZING OLEFIN USING CATALYST COMPRISING TRANSITION METAL COMPOUND, COMPOUND CAPABLE OF A REACTING WITH TRANSITION METAL COMPOUND TO FORM A CATIONIC TRANSITION METAL COMPOUND, ORGANOMETALLIC TO FORM POLYOLEFIN TOSOH CORPORATION (JP) 2001-11-13 US disclosed