SCHEMBL3396698

SCHEMBL3396698

O=C(O)n1nc(-c2ccc([N+](=O)[O-])cc2)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
RAD51 Q06609 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.41
SCN4A P35499 1/20 0.41
CASP1 P29466 1/20 0.40
PHGDH O43175 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL13425902 0.83 MAPT (0.44) GABRA1GABRB2RAD51SMN1; SMN2RAB9A
SCHEMBL3395630 0.82 HDAC6 (0.44) RAD51SCN4AALDH1A1MEN1KMT2A
SCHEMBL3393979 0.81 PDE4B (0.50) GABRA1GABRB2RAD51SMN1; SMN2RAB9A
SCHEMBL3395758 0.71 GRK6 (0.41) SMN1; SMN2RAB9ACASP1PHGDHALDH1A1
SCHEMBL21198256 0.70 MAPT (0.44) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL18127956 0.70 SCN4A (0.65) GABRA1GABRB2SMN1; SMN2RAB9ASCN4A
SCHEMBL17673651 0.69 RAB9A (0.53) GABRA1GABRB2SMN1; SMN2RAB9ASCN4A
SCHEMBL15713898 0.69 SCN4A (0.44) RAD51SMN1; SMN2RAB9ASCN4ACASP1
SCHEMBL15713895 0.69 SCN4A (0.44) GABRA1GABRB2RAD51SMN1; SMN2RAB9A
SCHEMBL2864311 0.68 ELANE (0.54) SMN1; SMN2GSK3BMEN1KMT2A

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed