SCHEMBL7322947

SCHEMBL7322947

NC1c2ccccc2CCC1(CC(=O)O)C(=O)c1ccc(C=NN2CCSCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 8/20 0.34
MAPK1 P28482 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
GAA P10253 5/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 2/20 0.31
JAK2 O60674 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7322012 0.99 KDM4E (0.41) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7322038 0.92 KDM4E (0.44) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7322751 0.91 KDM4E (0.43) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7315913 0.91 KDM4E (0.43) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7349840 0.90 KDM4E (0.45) KDM4ENPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL7320537 0.90 KDM4E (0.43) KDM4ENPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL7322342 0.90 KDM4E (0.44) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7312609 0.90 KDM4E (0.42) KDM4ENPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL7324434 0.89 KDM4E (0.41) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL7319815 0.74 KDM4E (0.40) KDM4ENPC1RAB9APOLBMAPT

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