SCHEMBL7395083

SCHEMBL7395083

CCOC(=O)CC1CCc2cc(C(=O)N(C)c3ccc(C=NN4CCOCC4)cc3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL7392907 0.97 MAPT (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7318811 0.95 MAPT (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7311917 0.92 MAPT (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7392480 0.88 ITGB3 (0.33) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7320459 0.87 MAPT (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7312983 0.87 MAPT (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7316347 0.87 MCHR1 (0.33) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7392925 0.86 ITGB3 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7392924 0.86 ITGB3 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7395082 0.85 ITGB3 (0.51) ALDH1A1RAB9ASMN1; SMN2ITGB3ITGA2B

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
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed