SCHEMBL7322920

SCHEMBL7322920

CCC1(N)c2cc(C(=O)c3ccc(C=NN4CCSCC4)cc3)ccc2CCN1CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 3/20 0.34
THRB P10828 2/20 0.34
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 4/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP26A1 O43174 1/20 0.31
MAPK1 P28482 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7320445 0.94 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7381178 0.91 RAB9A (0.40) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7325141 0.91 RAB9A (0.41) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7312044 0.90 NPC1 (0.33) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7320841 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7322493 0.89 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7320714 0.89 NPC1 (0.34) SMN1; SMN2ALDH1A1GAALMNATHRB
Hydrochloric Acid SCHEMBL7316299 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7315014 0.85 RAB9A (0.40) SMN1; SMN2ALDH1A1GAALMNATHRB
SCHEMBL7317468 0.85 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1GAALMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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