SCHEMBL28239652

SCHEMBL28239652

C1=C(c2ccccc2C2=Cc3cc(-c4ccccc4)ccc3C2)Cc2ccc(-c3ccccc3)cc21.Cl[Zr]Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.39
PTGS2 P35354 2/20 0.39
TYRO3 Q06418 1/20 0.36
NTRK2 Q16620 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.35
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APAF1 O14727 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
XBP1 P17861 1/20 0.34
PTBP1 P26599 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29672902 0.94 PTGS2 (0.42) TDP2PTGS2TYRO3NTRK2CLK4
SCHEMBL7178824 0.94 PTGS2 (0.42) TDP2PTGS2TYRO3NTRK2CLK4
SCHEMBL30712625 0.92 PTGS2 (0.41) TDP2PTGS2TYRO3NTRK2CLK4
SCHEMBL30712626 0.92 PTGS2 (0.41) TDP2PTGS2TYRO3NTRK2CLK4
SCHEMBL28814932 0.90 CYP11B1 (0.41) TDP2TYRO3NTRK2CLK4DYRK1B
Hydrochloric Acid SCHEMBL7177923 0.90 TYRO3 (0.41) TDP2PTGS2TYRO3NTRK2CLK4
Hydrochloric Acid SCHEMBL28814933 0.80 CYP11B2 (0.46) TDP2TYRO3NTRK2CLK4DYRK1B
SCHEMBL28223937 0.78 PTGS2 (0.59) PTGS2CYP11B1CYP11B2CYP19A1IP6K1
SCHEMBL19432718 0.76 MMP3 (0.48) TDP2CYP11B1CYP11B2CYP19A1MEN1
SCHEMBL31589402 0.73 TDP2 (0.41) TDP2TYRO3NTRK2CLK4DYRK1B

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-104093749-B Catalyst composition and process for preparing the same 沙特基础工业公司 2018-08-07 CN disclosed