SCHEMBL7320459

SCHEMBL7320459

CCOC(=O)CC1COc2cc(C(=O)N(C)c3ccc(C=NN4CCOCC4)cc3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL7395942 0.95 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7312983 0.94 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7388905 0.91 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27362995 0.88 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7396723 0.88 SMN1; SMN2 (0.33) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7395083 0.87 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7392907 0.87 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7395024 0.87 ITGB3 (0.46) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7395027 0.87 ITGB3 (0.46) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7395949 0.86 SMN1; SMN2 (0.33) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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 3 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
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed