SCHEMBL8041362

SCHEMBL8041362

COC(=O)Cc1ncc2sccn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CHEK1 O14757 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8052785 0.81 DYRK1A (0.41) HSD17B10HPGDALDH1A1KDM4ERECQL
SCHEMBL8053771 0.80 DYRK1A (0.36) HSD17B10HPGDALDH1A1KDM4ERECQL
SCHEMBL8053677 0.76 KDM4E (0.33) HSD17B10HPGDALDH1A1KDM4ERECQL
SCHEMBL7981341 0.71 ALDH1A1 (0.46) HSD17B10HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL30165031 0.69 ALDH1A1 (0.39) HSD17B10HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL7496405 0.68 CA2 (0.33) HSD17B10HPGDALDH1A1KDM4EMAPT
SCHEMBL8052900 0.67 CHEK1 (0.34) HSD17B10HPGDALDH1A1KDM4ERECQL
SCHEMBL8056632 0.64 CHEK1 (0.36) HSD17B10HPGDALDH1A1KDM4ERECQL
SCHEMBL6959399 0.63 HTT (0.46) HSD17B10ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2263796 0.63 HTT (0.40) HSD17B10HPGDALDH1A1KDM4ESMN1; SMN2

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