SCHEMBL9740917

SCHEMBL9740917

COc1cc(OC)nc(N(C(N)=NN)S(=O)(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALPL P05186 2/20 0.38
KDM2B Q8NHM5 1/20 0.36
F2 P00734 1/20 0.35
CTRC Q99895 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
HTR6 P50406 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
SCN9A Q15858 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 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
SCHEMBL9589357 0.88 MEN1 (0.36) ALPLKDM2BF2CTRCMRGPRX1
SCHEMBL9585742 0.85 MEN1 (0.34) ALPLKDM2BF2CTRCMRGPRX1
SCHEMBL10688914 0.79 HCRTR1 (0.43) SMN1; SMN2ALPLKDM2BF2CTRC
SCHEMBL9586844 0.79 SMN1; SMN2 (0.42) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL9743094 0.78 CA1 (0.47) SMN1; SMN2F2SLC40A1NPSR1MEN1
SCHEMBL9741957 0.76 SMN1; SMN2 (0.55) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL9735397 0.75 SMN1; SMN2 (0.69) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL9585688 0.75 CYP1A2 (0.39) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL9474791 0.75 SMN1; SMN2 (0.37) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL10688266 0.74 ALPL (0.44) SMN1; SMN2ALPLKDM2BMRGPRX1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US claimed