SCHEMBL7528072

SCHEMBL7528072

CCS(=O)(=O)Cc1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
APOBEC3G Q9HC16 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTR5A P47898 2/20 0.50
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
GLO1 Q04760 2/20 0.47
ALOX15 P16050 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX12 P18054 1/20 0.47
SLC40A1 Q9NP59 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL27449238 0.91 KDM4E (0.51) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL1272702 0.85 HTR5A (0.53) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL643810 0.82 KDM4E (0.54) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL14875890 0.81 KDM4E (0.49) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL1272699 0.81 HTR5A (0.50) KDM4EMAPTGAAAPOBEC3GTDP1
Hno SCHEMBL28954421 0.79 KDM4E (0.50) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL27501809 0.76 HTR5A (0.44) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL1709266 0.75 KDM4E (0.50) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL3969185 0.74 KDM4E (0.54) KDM4EMAPTGAAAPOBEC3GTDP1
SCHEMBL19036261 0.72 HDAC6 (0.50) KDM4EMAPTTDP1HTR5AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed