SCHEMBL8613758

SCHEMBL8613758

O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 3/20 1.00
THRB P10828 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KDM4E B2RXH2 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 1/20 0.68
PDE10A Q9Y233 1/20 0.68
AKR1C3 P42330 1/20 0.66
AKR1C2 P52895 1/20 0.66
AKR1C1 Q04828 1/20 0.66
DHODH Q02127 1/20 0.64
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
EIF4A1 P60842 3/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.57
ELANE P08246 1/20 0.57
KMT2A Q03164 1/20 0.57
TOP1 P11387 1/20 0.56

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
SCHEMBL1900306 0.87 MAPT (0.77) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL13977276 0.85 ALDH1A1 (0.74) MAPTALDH1A1THRBTDP1KDM4E
SCHEMBL1899228 0.84 EIF4A1 (0.73) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8617811 0.83 MAPT (0.71) MAPTALDH1A1THRBTDP1KDM4E
SCHEMBL7813091 0.83 MAPT (0.70) MAPTALDH1A1THRBTDP1KDM4E
Hydrochloric Acid SCHEMBL8619180 0.82 MAPT (0.69) MAPTALDH1A1THRBTDP1KDM4E
Cinchophen SCHEMBL25519 0.82 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAPDE10A
Cinchophen SCHEMBL29376617 0.82 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAPDE10A
Cinchophen SCHEMBL7588217 0.82 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAPDE10A
Cinchophen SCHEMBL4464779 0.80 KDM4E (0.97) ALDH1A1KDM4ESMN1; SMN2LMNAPDE10A

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