SCHEMBL11544271

SCHEMBL11544271

CCc1cc(Cl)ccc1NC(=O)N1CCN(C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.56
MAPK1 P28482 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 5/20 0.47
CYP2D6 P10635 5/20 0.47
CYP2C8 P10632 4/20 0.47
CYP2C19 P33261 4/20 0.47
KCNH2 Q12809 4/20 0.47
CYP2C9 P11712 3/20 0.47
APP P05067 2/20 0.47
CYP3A4 P08684 2/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL11545236 0.90 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11543764 0.85 MAPKAPK2 (0.53) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11544277 0.85 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11542855 0.84 MAPKAPK2 (0.54) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11726280 0.84 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11542519 0.83 MAPKAPK2 (0.54) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11729429 0.82 MAPKAPK2 (0.60) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL10838774 0.82 MAPKAPK2 (0.61) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11728397 0.81 RAD52 (0.69) MAPKAPK2MAPK1MAPTMEN1KMT2A
SCHEMBL11522431 0.80 MAPKAPK2 (0.51) MAPKAPK2MAPK1MAPTMEN1KMT2A

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