SCHEMBL6280683

SCHEMBL6280683

O=C(N[Hf](Cl)(Cl)(NC(=O)c1ccccc1)C1C=Cc2ccccc21)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX15 P16050 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DEPTOR Q8TB45 1/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL5853982 0.83 MEN1 (0.33) ATMHDAC3HDAC1HDAC2CA12
SCHEMBL5854316 0.82 ATM (0.32) ATMHDAC3HDAC1HDAC2CA12
SCHEMBL7944172 0.74 ATM (0.33) ATMMEN1KMT2A
SCHEMBL5853370 0.72 SMN1; SMN2 (0.41) HDAC8HDAC6LMNAMEN1KMT2A
SCHEMBL5852864 0.72 SMN1; SMN2 (0.41) HDAC8HDAC6LMNAMEN1KMT2A
SCHEMBL5852971 0.71 POLB (0.33) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5856905 0.71 POLB (0.33) LMNAMEN1KMT2APOLBNPC1
SCHEMBL5852863 0.70 TAS1R3 (0.36) NPC1RAB9A
SCHEMBL5853704 0.69
SCHEMBL5854290 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943227-B2 Catalyst for olefin polymerization and method of polymerization of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2005-09-13 US disclosed
US-20040176242-A1 Catalyst for olefin polymerization and method of polymerization of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2004-09-09 US disclosed
EP-1416001-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR POLYMERIZATION OF OLEFIN Japan Polychem Corporation (JP) 2004-05-06 EP disclosed