SCHEMBL7322951

SCHEMBL7322951

NC1(C(=O)c2ccc(C=NN3CCSCC3)cc2)c2ccccc2CCC1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.35
GAA P10253 4/20 0.33
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 5/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 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
Hydrochloric Acid SCHEMBL7322015 0.99 NPC1 (0.37) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7322046 0.92 RAB9A (0.40) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7315917 0.91 SMN1; SMN2 (0.39) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7349849 0.90 RAB9A (0.44) NPC1RAB9APOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7320541 0.90 SMN1; SMN2 (0.39) NPC1RAB9APOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7322351 0.89 SMN1; SMN2 (0.45) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7312613 0.89 SMN1; SMN2 (0.42) NPC1RAB9APOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7322357 0.89 SMN1; SMN2 (0.41) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7321998 0.80 SMN1; SMN2 (0.34) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL7310867 0.78 SMN1; SMN2 (0.33) 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