SCHEMBL3577856

SCHEMBL3577856

CCOC(=O)c1cccc2nc(-c3ccc(-n4ccnc4)cc3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
CLK2 P49760 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2D Q13557 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
AURKB Q96GD4 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43

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
SCHEMBL3577852 0.84 AURKB (0.61) KDM4EMEN1MITFALDH1A1MAPT
SCHEMBL3575391 0.83 DHODH (0.47) MEN1KMT2APRKD3MAP4K4PIM1
SCHEMBL6810427 0.83 PKN1 (0.58) PRKD3MAP4K4PIM1CLK2CAMK2D
SCHEMBL3585597 0.83 DHODH (0.45) MEN1KMT2ADHODHCYP2D6GRK6
SCHEMBL6948237 0.81 TSHR (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3575168 0.79 SIRT2 (0.52) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3580405 0.76 MMP2 (0.50) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3580810 0.74 CHEK1 (0.59) MAP4K4PIM1CLK2MAP4K2DYRK1A
SCHEMBL6583754 0.74 KDM4E (0.47) KDM4EMEN1MITFALDH1A1MAPT
SCHEMBL5800533 0.72 HTT (0.71) KDM4EMEN1MITFALDH1A1MAPT

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed