SCHEMBL9064074

SCHEMBL9064074

C[Hf](C)(Cl)(Cl)(NC(=O)C1CCCCC1)[SiH2]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 2/20 0.37
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RX7 Q99572 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GRM5 P41594 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
MEN1 O00255 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
CETP P11597 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL7753204 0.77 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL9587137 0.70 NPC1 (0.41) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL8676462 0.69 NPC1 (0.40) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL7753151 0.69 NPC1 (0.40) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL7752414 0.69 NPC1 (0.40) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5854820 0.68 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5856430 0.68 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5854780 0.68 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5853858 0.68 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5853698 0.68 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDALDH1A1

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
EP-0727443-A1 Catalyst for olefin polymerization and process for producing olefin polymers Tosoh Corporation (JP) 1996-08-21 EP disclosed