SCHEMBL28041357

SCHEMBL28041357

Cl[Hf]Cl.NCc1cccc(-c2cccc3c2C=C[CH]3)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
HTR7 P34969 2/20 0.35
CSNK2A1 P68400 3/20 0.35
TAAR1 Q96RJ0 3/20 0.33
ENPP2 Q13822 1/20 0.33
USP28 Q96RU2 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
CFD P00746 2/20 0.32
CDK8 P49336 1/20 0.32
AOC3 Q16853 1/20 0.31
CSNK2B P67870 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL28148805 0.94 HTR7 (0.39) PNMTHTR7CSNK2A1TAAR1ENPP2
SCHEMBL28030819 0.81 HRH3 (0.43) CSNK2A1TAAR1LOXL2
SCHEMBL27462619 0.79 CYP2A6 (0.36)
SCHEMBL28041352 0.75 DPP4 (0.45) PNMTCSNK2A1CSNK2B
SCHEMBL28041346 0.75 KIF11 (0.39)
SCHEMBL28041148 0.74
SCHEMBL6652749 0.72 PTGER1 (0.38)
SCHEMBL26190 0.71 ALDH1A1 (0.37)
SCHEMBL6650683 0.71 CHEK1 (0.38) CDK8
SCHEMBL27463443 0.70 ALDH1A1 (0.35)

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
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed