SCHEMBL8052959

SCHEMBL8052959

CN(Cc1ncc2sccn12)C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC4 P56524 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RIPK1 Q13546 2/20 0.31
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 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
SCHEMBL8052926 0.83 KDM4E (0.35) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL8052900 0.73 CHEK1 (0.34) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL7497270 0.70 DYRK1A (0.33) KDM4EALDH1A1HPGDRECQLHSD17B10
SCHEMBL7980854 0.69 KDM4E (0.38) KDM4EALDH1A1HPGDRECQLHSD17B10
SCHEMBL7494643 0.69 DYRK1A (0.39) KDM4EALDH1A1HPGDRECQLHSD17B10
SCHEMBL8053771 0.69 DYRK1A (0.36) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL8053507 0.69 ALOX15 (0.40) MAPTKDM4EALDH1A1HPGDRECQL
SCHEMBL8054483 0.69 HPGD (0.40) MAPTTDP1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7890565 0.68 DYRK1A (0.38) KDM4EALDH1A1HPGDRECQLHSD17B10
SCHEMBL8052931 0.67 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HPGDRECQL

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
EP-0669336-B1 NOVEL CEPHEM DERIVATIVES MEIJI SEIKA CO (JP) 2000-05-17 EP disclosed
US-5663162-A BACTERICIDES AND ANTIBIOTICS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0669336-A1 NOVEL CEPHEM DERIVATIVE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed