SCHEMBL27362995

SCHEMBL27362995

CC(=O)OCCC1COc2cc(C(=O)N(C)c3ccc(C=NN4CCOCC4)cc3)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ITGB3 P05106 3/20 0.33

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
SCHEMBL27524443 0.95 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7320459 0.88 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7312983 0.83 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7395942 0.83 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7388905 0.80 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7395083 0.76 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7392907 0.76 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7395949 0.76 SMN1; SMN2 (0.33) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7396723 0.76 SMN1; SMN2 (0.33) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Ethyl Acetate SCHEMBL27527286 0.74 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062266-C Amidine derivative and platelet agglutination inhibitor containing said amidine derivative SCHERING CORP (DE) 2001-02-21 CN disclosed
CN-1154962-A Amidine derivative and platelet agglutination inhibitor containing said amidine derivative MITSUI TOATSU CHEMICALS (JP) 1997-07-23 CN disclosed