SCHEMBL7062676

SCHEMBL7062676

Cl[Ti](Cl)(C1C(c2cc3ccccc3[nH]2)=Cc2ccccc21)C1C(c2cc3ccccc3[nH]2)=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHEK1 O14757 1/20 0.38
KDR P35968 1/20 0.38
ITK Q08881 2/20 0.35
CYP19A1 P11511 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
SCHEMBL7065287 0.79 RAB9A (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7064318 0.78 RAB9A (0.41) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL7064313 0.77 RAB9A (0.44) RAB9ANPC1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL7062674 0.76 RAB9A (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7064325 0.74
SCHEMBL394240 0.71
SCHEMBL392791 0.68 TACR1 (0.32)
SCHEMBL7064946 0.68 RAB9A (0.37) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL394873 0.67 L3MBTL1 (0.30) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL374022 0.67 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635733-B2 Coordination catalyst; radiation transparent, elasticity CHISSO CORPORATION (JP) 2003-10-21 US disclosed
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed
US-20020002261-A1 Elastomeric polypropylene JNC PETROCHEMICAL CORPORATION (JP) 2002-01-03 US disclosed
US-20010031834-A1 Using coordination catalyst; flexibility, elasticity; molding materials CHISSO CORPORATION 2001-10-18 US disclosed