SCHEMBL7048568

SCHEMBL7048568

CC1=CC2=C(C=CC=CC2)C1c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RCE1 Q9Y256 1/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 1/20 0.32
DRD2 P14416 1/20 0.32
CYP2A6 P11509 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL7051309 0.83 KDM1A (0.36) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL5477612 0.68 KDM1A (0.44) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL7048566 0.66 CYP1A2 (0.37) CYP2A6
SCHEMBL7048565 0.64 KDM1A (0.35) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL7053085 0.64 SLC6A4 (0.33) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL2964782 0.64 KDM1A (0.40) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL7054457 0.63 SLC6A4 (0.33) KDM1ASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL27406021 0.63 KDM1A (0.39) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL22777121 0.62 KDM1A (0.39) KDM1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL2962492 0.62 KDM1A (0.38) KDM1ASLC6A4SLC6A2SLC6A3MEN1

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
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed