SCHEMBL8622580

SCHEMBL8622580

O=[N+]([O-])c1ccc(NCCc2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 6/20 0.61
POLB P06746 3/20 0.61
MAPK1 P28482 2/20 0.61
MPI P34949 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CYP19A1 P11511 1/20 0.48

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
SCHEMBL6712518 0.84 MAPT (0.63) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL4848969 0.82 NAMPT (0.58) MAPTALDH1A1POLBMAPK1MPI
SCHEMBL6632472 0.81 POLB (0.79) MAPTALDH1A1POLBMAPK1MPI
SCHEMBL28121312 0.81 PTPRF (0.71) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL9003269 0.79 MAPT (0.70) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11401029 0.78 POLB (0.73) MAPTALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL4951837 0.76 ALDH1A1 (0.73) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14064827 0.75 RAD52 (0.52) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL4843988 0.75 ALDH1A1 (0.61) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL14117517 0.74 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed