SCHEMBL11545236

SCHEMBL11545236

CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.56
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
PDGFRB P09619 2/20 0.49
APP P05067 1/20 0.47
HPSE Q9Y251 1/20 0.46

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
SCHEMBL11544271 0.90 MAPKAPK2 (0.56) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11542120 0.87 PRKAB2 (0.54) MAPKAPK2MAPTKDM4ENPSR1PDGFRB
SCHEMBL11544277 0.86 MAPKAPK2 (0.56) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11726280 0.84 MAPKAPK2 (0.75) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11542855 0.82 MAPKAPK2 (0.54) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11729429 0.82 MAPKAPK2 (0.60) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL10838774 0.82 MAPKAPK2 (0.61) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11543764 0.82 MAPKAPK2 (0.53) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11724988 0.81 MAPKAPK2 (0.56) MAPKAPK2MAPTMEN1MAPK1STAT3
SCHEMBL11542519 0.81 MAPKAPK2 (0.54) MAPKAPK2MAPTMEN1MAPK1STAT3

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