SCHEMBL7724265

SCHEMBL7724265

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)=[Ge](C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31
DHFR P00374 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ALOX5 P09917 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 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
SCHEMBL7935476 0.88 ALDH1A1 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL1238240 0.87 KDM4E (0.31) KDM1ACA12CA1CA2CA9
SCHEMBL139428 0.85 DHFR (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL6013840 0.85 HTR7 (0.32)
SCHEMBL7933172 0.85 ALOX5 (0.33) ALOX5MAPTPTPN1
SCHEMBL5951278 0.83 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL5836702 0.83 MTNR1A (0.33) KDM1ACA12CA1CA2CA9
SCHEMBL5854312 0.83 PTPN1 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL339002 0.83 KDM1A (0.31) KDM1ACA12CA1CA2CA9
SCHEMBL137885 0.83 ENPP3 (0.32) CA12CA1CA2CA9ALDH1A1

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-6420501-B1 POLYMERIZATION CATALYST ON SUPPORT CHISSO CORPORATION (JP) 2002-07-16 US disclosed
US-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed
EP-1026177-A1 SUPPORTED METALLOCENE CATALYST, PROCESS FOR PREPARING THE SAME, AND PROCESS FOR PRODUCING OLEFIN POLYMERS CHISSO CORPORATION (JP) 2000-08-09 EP disclosed