SCHEMBL7325009

SCHEMBL7325009

NC1c2ccccc2CC[N+]1(CC(=O)O)C(=O)c1ccc(C=NN2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 7/20 0.39
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
MAPK1 P28482 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 4/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 1/20 0.33
PKM P14618 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
SCHEMBL7355860 0.92 RAB9A (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7319815 0.91 KDM4E (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7319158 0.91 KDM4E (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7322830 0.90 KDM4E (0.39) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7322751 0.73 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7315913 0.73 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7320537 0.72 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7322038 0.72 KDM4E (0.44) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7315917 0.66 SMN1; SMN2 (0.39) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7320541 0.66 SMN1; SMN2 (0.39) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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