SCHEMBL27259233

SCHEMBL27259233

COc1cc(NC(=O)NS(=O)(=O)c2nc(Br)ccc2C(=O)N(C)C)nc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.48
GAA P10253 2/20 0.39
FBP1 P09467 5/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K4 O95819 1/20 0.33
ROS1 P08922 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CLK2 P49760 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
SCHEMBL27966147 0.90 CDK1 (0.48) CDK1GAAFBP1CREBBPNPC1
SCHEMBL27259474 0.89 CDK1 (0.49) CDK1GAAFBP1CREBBPNPC1
SCHEMBL27258905 0.87 CDK1 (0.45) CDK1GAAFBP1CREBBPNPC1
SCHEMBL7803569 0.86 CDK1 (0.44) CDK1GAAFBP1CREBBPALDH1A1
SCHEMBL9718299 0.85 CDK1 (0.63) CDK1GAATP53SMN1; SMN2MEN1
SCHEMBL27279831 0.82 CDK1 (0.42) CDK1GAAFBP1CREBBPNPC1
SCHEMBL17845727 0.79 CDK1 (0.77) CDK1GAAFBP1CREBBPSMN1; SMN2
SCHEMBL9363807 0.78 FBP1 (0.37) CDK1GAAFBP1CREBBPTP53
SCHEMBL27580543 0.77 TUBB4A (0.45) CDK1GAAFBP1CREBBPMAP4K4
SCHEMBL9368411 0.76 FBP1 (0.42) GAAFBP1CREBBPNPC1RAB9A

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
CN-1025812-C Herbicidal suspension concentrage ISHIHARA SANGYO KAISHA (JP) 1994-09-07 CN disclosed
CN-1032729-A HERBICIDAL SUSPENSION CONCENTRAGE ISHIHARA SANGYO KAISHA (JP) 1989-05-10 CN disclosed