SCHEMBL7934590

SCHEMBL7934590

CN(C)C1=CCC([Zr](C)(C)(=C(c2ccccc2)c2ccccc2)c2cccc3c2Cc2ccccc2-3)=C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
PNMT P11086 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
SCHEMBL7106984 0.86 NPC1 (0.34) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7107794 0.84 NPC1 (0.33) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7106058 0.83 NPC1 (0.32) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7941175 0.83 PNMT (0.33) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7104537 0.83 NPC1 (0.32) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7101060 0.82 NPC1 (0.32) NPC1RAB9AHTR7HTR2B
SCHEMBL7940992 0.81 PNMT (0.32) NPC1RAB9APNMT
SCHEMBL7101948 0.81 PNMT (0.32) NPC1RAB9APNMT
SCHEMBL7103489 0.81 PNMT (0.32) NPC1RAB9APNMT
SCHEMBL7943321 0.81 PNMT (0.31) NPC1RAB9APNMT

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-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
EP-0786466-A1 Transition metal compound, olefin polymerization catalyst comprising the compound, and process for production of olefin polymer Tosoh Corporation (JP) 1997-07-30 EP disclosed