SCHEMBL6556255

SCHEMBL6556255

CCOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)n(CC(OCC)OCC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AR P10275 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6558245 0.91 MAPT (0.40) MAPTRAB9ASMN1; SMN2ARLMNA
SCHEMBL6556267 0.90 FOS (0.43) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL6558338 0.87 KDM4E (0.50) MAPTRAB9AGAALMNAMEN1
SCHEMBL6556171 0.85 GAA (0.45) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL6557695 0.85 NPC1 (0.48) RAB9ASMN1; SMN2GAALMNAPOLB
SCHEMBL6558284 0.85 KDM4E (0.53) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL6558325 0.85 KDM4E (0.49) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL6556112 0.84 CSNK1D (0.45) MAPTGAALMNAMEN1KMT2A
SCHEMBL6556372 0.81 AKR1B1 (0.36) MAPTRAB9ASMN1; SMN2LMNAMEN1
SCHEMBL6558388 0.81 KDM4E (0.49) MAPTRAB9ASMN1; SMN2GAALMNA

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-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed