SCHEMBL7319824

SCHEMBL7319824

NC1(C(=O)c2ccc(C=NN3CCSCC3)cc2)c2ccccc2CCN1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
GAA P10253 3/20 0.34
LMNA P02545 3/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 6/20 0.33
MAPK1 P28482 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KIF11 P52732 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 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
SCHEMBL7325015 0.91 RAB9A (0.40) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7355873 0.90 RAB9A (0.46) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7319181 0.89 MAPT (0.41) NPC1RAB9APOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7322838 0.88 SMN1; SMN2 (0.41) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7322493 0.79 SMN1; SMN2 (0.35) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7322951 0.78 NPC1 (0.38) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7322920 0.78 SMN1; SMN2 (0.34) NPC1RAB9APOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7322015 0.78 NPC1 (0.37) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7312044 0.77 NPC1 (0.33) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7317468 0.76 SMN1; SMN2 (0.35) NPC1RAB9APOLBKDM4ESMN1; SMN2

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