SCHEMBL7319815

SCHEMBL7319815

NC1c2ccccc2CC[N+]1(CC(=O)O)C(=O)c1ccc(C=NN2CCSCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 6/20 0.32
MAPK1 P28482 6/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 3/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
GFER P55789 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
SCHEMBL7325009 0.91 KDM4E (0.41) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7355860 0.90 RAB9A (0.43) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7319158 0.90 KDM4E (0.40) KDM4ENPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7322830 0.89 KDM4E (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7322947 0.74 KDM4E (0.42) KDM4ENPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7322012 0.73 KDM4E (0.41) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7322951 0.67 NPC1 (0.38) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7319824 0.67 NPC1 (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7322015 0.67 NPC1 (0.37) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL7324825 0.65 NPC1 (0.37) KDM4ENPC1RAB9APOLBSMN1; 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