SCHEMBL7396384

SCHEMBL7396384

CCC1c2ccc(N(C)C(=O)c3ccc(C=NN4CCSCC4)cc3)cc2CCC1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
MAPK1 P28482 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GFER P55789 1/20 0.32
GAA P10253 2/20 0.31
THRB P10828 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
TDP1 Q9NUW8 2/20 0.30
POLB P06746 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL7397367 0.94 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7392482 0.91 DRD2 (0.35) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7395669 0.91 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7395085 0.86 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7394074 0.85 MAPT (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7394844 0.85 NPC1 (0.37) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7388128 0.85 ITGB3 (0.40) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7392909 0.82 MAPT (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7386945 0.81 DRD3 (0.38) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7390234 0.81 ITGB3 (0.40) SMN1; SMN2LMNANPC1RAB9A

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