SCHEMBL7397367

SCHEMBL7397367

CCC1c2cc(N(C)C(=O)c3ccc(C=NN4CCSCC4)cc3)ccc2CCC1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GFER P55789 1/20 0.33
DRD2 P14416 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 3/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL7392482 0.95 DRD2 (0.35) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL7396384 0.94 KDM4E (0.33) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL7394074 0.91 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL7392909 0.86 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL7395669 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL7386945 0.85 DRD3 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL7390234 0.85 ITGB3 (0.40) SMN1; SMN2LMNANPC1RAB9AITGB3
Hydrochloric Acid SCHEMBL7395647 0.84 ITGB3 (0.40) SMN1; SMN2LMNANPC1RAB9AITGB3
SCHEMBL7306389 0.83 MEN1 (0.35) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL7395504 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1

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