SCHEMBL8160551

SCHEMBL8160551

CCN(CC)c1ccc2c(c1)C([Zr](C1=CC=CC1)=C(c1ccccc1)c1ccccc1)c1cc(N(CC)CC)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.32
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 5/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 3/20 0.30
POLB P06746 2/20 0.30
THRB P10828 2/20 0.30
PKM P14618 2/20 0.30
HPGD P15428 2/20 0.30
MDM2 Q00987 2/20 0.30
GAA P10253 2/20 0.30
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL17743557 0.99 MEN1 (0.32) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL8153894 0.97 MEN1 (0.31) MAPTMEN1KMT2ALMNAMAOB
Hydrochloric Acid SCHEMBL17743597 0.96 MEN1 (0.31) MAPTMEN1KMT2ALMNAMAOB
Hydrochloric Acid SCHEMBL17743591 0.90 CNR2 (0.33) MAPTMEN1KMT2ALMNAMAOB
Hydrochloric Acid SCHEMBL17743599 0.90 KDM4E (0.35) MEN1KMT2ACNR2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17743511 0.89 MEN1 (0.30) MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL17743530 0.89 PTPN1 (0.33) SMN1; SMN2CYP2C19
SCHEMBL17743524 0.88 RAB9A (0.35) MAPTMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL17743527 0.87 RAB9A (0.34) MAPTMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL17743585 0.86 PTPN1 (0.32) SMN1; SMN2MAPK1CYP1A2CYP2C19

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
US-6121396-A USING A METALLOCENE HAVING A SUBSTITUTED FLUORENYL GROUP, AND A COMPOUND REACTING WITH THE METALLOCENE TO FORM A CATIONIC METALLOCENE; HIGH- AND NARROW MOLECULAR WEIGHT; NARROW COMPOSITION DISTRIBUTION; PROCESS TEMPERATURE OF >120 C. TOSOH CORPORATION (JP) 2000-09-19 US disclosed