SCHEMBL8615315

SCHEMBL8615315

NC(=Nc1ccccc1)NC(=O)c1ccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
SCNN1A P37088 1/20 0.39
RAB9A P51151 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC40A1 Q9NP59 2/20 0.38
CTSB P07858 3/20 0.38
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8616000 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8616703 0.83 PIK3CA (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8620901 0.83 ALDH1A1 (0.39) KDM4EALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL8619905 0.82 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8613492 0.82 ADORA2A (0.44) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8618769 0.82 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8617725 0.80 PDE4A (0.46) ALDH1A1SMN1; SMN2LMNANPC1SCNN1A
SCHEMBL8613365 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8619003 0.79 SLC40A1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8620113 0.79 SMN1; SMN2 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed