SCHEMBL9602675

SCHEMBL9602675

CC(COc1ccc(-n2nc3c(cc2=O)CSc2ccccc2-3)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
KDR P35968 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MDM2 Q00987 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL9602962 0.89 HRH3 (0.36) HRH3KDRCA12CA1CA2
SCHEMBL9867229 0.83 TOP1 (0.40) TOP1HRH3MAPTKDM4ENPC1
SCHEMBL9602979 0.83 MCHR1 (0.43) TOP1HRH3KDRCA12CA1
SCHEMBL9865898 0.80 CA12 (0.35) HRH3KDRCA12CA1CA2
Iodide SCHEMBL10445020 0.79 ALDH1A1 (0.35) HRH3KDRCA12CA1CA2
SCHEMBL9866081 0.78 HRH3 (0.33) HRH3CA12CA1CA2CA9
SCHEMBL9603117 0.77 CDK4 (0.39) HTTALDH1A1
SCHEMBL9602093 0.77 HRH3 (0.39) TOP1HRH3MEN1KMT2AALDH1A1
SCHEMBL10560058 0.77 MMP12 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL9866493 0.76 HRH3 (0.41) TOP1HRH3MAPTKDM4EMEN1

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-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed