SCHEMBL29177751

SCHEMBL29177751

c1ccc(-c2ccc3c([nH]c4ccccc43)c2-c2ccccc2Nc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
PARP14 Q460N5 13/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
BCHE P06276 1/20 0.42
CDC25B P30305 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL29177985 0.94 KIF11 (0.46) KIF11PARP14CHRNB2CHRNB4CHRNA3
SCHEMBL30302765 0.92 PARP14 (0.47) KIF11PARP14CDC25BHPGDMAOA
Biphenyl SCHEMBL29177843 0.92 PARP14 (0.47) KIF11PARP14CDC25BHPGDMAOA
SCHEMBL11145174 0.86 KIF11 (0.54) KIF11PARP14BCHEHPGDMAOA
SCHEMBL28427076 0.84 KIF11 (0.49) KIF11PARP14CHRNB2CHRNB4CHRNA3
SCHEMBL20293634 0.81 PARP14 (0.48) KIF11PARP14BCHEHPGDMAOA
SCHEMBL22189181 0.81 PARP14 (0.51) KIF11PARP14CDC25BTP53
SCHEMBL30022189 0.81 PARP14 (0.51) KIF11PARP14CDC25BTP53
SCHEMBL3269364 0.81 KIF11 (0.49) KIF11PARP14BCHEHPGDMAOA
SCHEMBL3270153 0.80 MAOA (0.46) KIF11PARP14BCHEALDH1A1HPGD

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
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 CN disclosed