SCHEMBL11544277

SCHEMBL11544277

O=C(Nc1cccc(Cl)c1)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
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
STAT3 P40763 1/20 0.53
GAA P10253 1/20 0.52
ATM Q13315 1/20 0.52
PDGFRB P09619 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 1/20 0.50
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 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
SCHEMBL11546870 0.91 KDM4E (0.56) MAPKAPK2MAPTPDGFRBNPSR1NPC1
SCHEMBL11545236 0.86 MAPKAPK2 (0.56) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11542855 0.86 MAPKAPK2 (0.54) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11544271 0.85 MAPKAPK2 (0.56) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11726280 0.84 MAPKAPK2 (0.75) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10838774 0.84 MAPKAPK2 (0.61) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11543764 0.84 MAPKAPK2 (0.53) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11812563 0.83 RAD52 (0.64) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11542636 0.83 PDGFRB (0.53) MAPKAPK2MAPTPDGFRBNPSR1KDM4E
SCHEMBL11728397 0.83 RAD52 (0.69) MAPKAPK2MAPTMEN1KMT2ASMN1; SMN2

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