SCHEMBL9035462

SCHEMBL9035462

COc1ccc(NCCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MAPT P10636 4/20 0.58
MAPK1 P28482 2/20 0.58
AKR1C3 P42330 4/20 0.57
AKR1C2 P52895 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HCAR3 P49019 2/20 0.55
POLB P06746 1/20 0.55
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL8399917 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL17934215 0.86 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6969519 0.85 MAPT (0.68) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL1009970 0.85 ALDH1A1 (0.58) TDP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6938256 0.84 MEN1 (0.55) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL4233854 0.83 HCAR3 (0.60) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL10804569 0.82 MEN1 (0.53) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL21815032 0.82 MAPT (0.64) TDP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2472513 0.82 KAT2B (0.60) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL29262827 0.82 PKM (0.54) SMN1; SMN2NPC1RAB9AMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 EP disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 US disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed