SCHEMBL9693871

SCHEMBL9693871

ONc1ccccc1-c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CASP6 P55212 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CYP19A1 P11511 1/20 0.35
HDAC1 Q13547 2/20 0.34
BRD4 O60885 1/20 0.34
KDM1A O60341 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 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
SCHEMBL23978923 0.78 ADRA1D (0.45) ADRA1DADRA1AADRA1BCASP6MEN1
SCHEMBL10599951 0.75 KDM4E (0.45) ADRA1ACASP6MEN1KMT2ABRD4
SCHEMBL2422607 0.75 MEN1 (0.47) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL18856198 0.74 PABPC1 (0.43) ADRA1DADRA1AADRA1BCASP6MEN1
SCHEMBL12853990 0.73 PTPRC (0.44) ADRA1ACASP6MEN1KMT2ABRD4
SCHEMBL1358972 0.72 CETP (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13813005 0.72 JAK2 (0.39) ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL28550064 0.71 PTPN1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2010850 0.70 FABP3 (0.52) MEN1KMT2AHDAC1KDM4EALDH1A1
SCHEMBL31551042 0.70 CYP19A1 (0.55) CASP6KMT2ACYP19A1KDM1AKDM4E

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
JP-4211069-A None JP disclosed
JP-H04211069-A MICROBICIDE CIBA GEIGY AG 1992-08-03 JP disclosed
US-5120741-A Crop protection against phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed