SCHEMBL8617814

SCHEMBL8617814

N=C(NC=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 4/20 0.57
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TOP1 P11387 1/20 0.47
ABCG2 Q9UNQ0 4/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GUSB P08236 1/20 0.45
ELANE P08246 1/20 0.45
ABCB1 P08183 1/20 0.45
POLB P06746 2/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL8617251 0.90 MAPT (0.54) MAPTALDH1A1THRBTDP1NPC1
SCHEMBL8614932 0.89 ELANE (0.50) MAPTALDH1A1THRBTDP1NPC1
SCHEMBL8619776 0.88 ELANE (0.54) MAPTALDH1A1THRBTDP1ABCG2
SCHEMBL8617753 0.86 ACP1 (0.51) CYP3A4ABCG2MEN1KMT2AABCB1
SCHEMBL8614861 0.84 AKR1C3 (0.53) ABCG2MEN1KMT2AABCB1
SCHEMBL8615666 0.83 MAPT (0.41) MAPTALDH1A1RAB9AABCG2MEN1
SCHEMBL8614079 0.83 ACP1 (0.52) MAPTALDH1A1NPC1RAB9AABCG2
SCHEMBL8615255 0.83 ABCG2 (0.53) ABCG2ABCB1
SCHEMBL8614345 0.83 ABCG2 (0.44) MAPTALDH1A1NPC1RAB9AABCG2
SCHEMBL8618948 0.83 MEN1 (0.50) MAPTALDH1A1TDP1NPC1RAB9A

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