SCHEMBL8620896

SCHEMBL8620896

N=C(NC=O)Nc1cc(-c2ccccc2)nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
THRB P10828 1/20 0.37
ACP1 P24666 1/20 0.36
TP53 P04637 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8617724 0.84 ABCG2 (0.41) MEN1KMT2ALMNASMN1; SMN2ABCG2
SCHEMBL8615310 0.83 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8618937 0.83 PTGER4 (0.46) MEN1KMT2AALDH1A1ABCG2ABCB1
SCHEMBL8616598 0.83 ABCG2 (0.40) MEN1KMT2ALMNASMN1; SMN2ABCG2
SCHEMBL8616263 0.83 ABCB1 (0.40) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8613362 0.83 ACHE (0.41) MEN1KMT2ALMNASMN1; SMN2ABCG2
SCHEMBL8617814 0.80 MAPT (0.57) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL8620632 0.80 HPGD (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8614064 0.80 ABCB1 (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8615666 0.80 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA

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