SCHEMBL5027100

SCHEMBL5027100

O=C(O)C(Br)=NNc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALOX12 P18054 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA1 P00915 3/20 0.46
CA7 P43166 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 3/20 0.44
GFER P55789 2/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
KYAT1 Q16773 1/20 0.43

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
SCHEMBL5027098 1.00 MAPT (0.48) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL15047063 0.84 MEN1 (0.47) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL4115529 0.82 MAPT (0.63) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL4115527 0.82 MAPT (0.63) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL6710803 0.81 MAPT (0.50) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL5442765 0.81 MEN1 (0.47) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL5442763 0.81 MEN1 (0.47) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL8357961 0.81 MEN1 (0.47) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL2174834 0.79 CA2 (0.54) MAPTSMN1; SMN2LMNAHTTNPSR1
SCHEMBL2174838 0.79 CA2 (0.54) MAPTSMN1; SMN2LMNAHTTNPSR1

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
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP disclosed