SCHEMBL8615310

SCHEMBL8615310

N=C(NC=O)Nc1cc(-c2ccccc2)nc2c([N+](=O)[O-])cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
EIF4A1 P60842 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ACP1 P24666 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL8615997 0.84 CCR6 (0.45) ABCG2ACP1
SCHEMBL8620896 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8619903 0.83 ACP1 (0.39) MEN1KMT2AABCG2ACP1
SCHEMBL8616699 0.83 ACP1 (0.39) MEN1KMT2ATDP1ABCG2ACP1
SCHEMBL8613487 0.83 KDM4E (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8618767 0.83 MAPT (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8617814 0.80 MAPT (0.57) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8618998 0.80 ABCB1 (0.47) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL8617251 0.80 MAPT (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8615666 0.80 MAPT (0.41) MEN1KMT2AALDH1A1MAPTLMNA

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