SCHEMBL11543764

SCHEMBL11543764

O=C(Nc1ccc(Br)cc1Br)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.53
MAPT P10636 5/20 0.50
MAPK1 P28482 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
RAD52 P43351 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDGFRB P09619 1/20 0.44
ALK Q9UM73 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
SCHEMBL11542855 0.90 MAPKAPK2 (0.54) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11544271 0.85 MAPKAPK2 (0.56) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11544277 0.84 MAPKAPK2 (0.56) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11545236 0.82 MAPKAPK2 (0.56) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11726280 0.81 MAPKAPK2 (0.75) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL10838774 0.81 MAPKAPK2 (0.61) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11544358 0.81 MAPKAPK2 (0.53) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11728397 0.80 RAD52 (0.69) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11543549 0.80 MAPKAPK2 (0.59) MAPKAPK2MAPTMAPK1MEN1KMT2A
SCHEMBL11545265 0.79 MAPKAPK2 (0.51) MAPKAPK2MAPTMAPK1MEN1KMT2A

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-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed