SCHEMBL8614932

SCHEMBL8614932

N=C(NC=O)Nc1cc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 2/20 0.44
PSMD14 O00487 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
EIF4A1 P60842 1/20 0.39
TACR3 P29371 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 1/20 0.39
ACP1 P24666 1/20 0.39

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
SCHEMBL8619776 0.93 ELANE (0.54) ELANEMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL8617251 0.91 MAPT (0.54) ELANEMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL8617814 0.89 MAPT (0.57) ELANEMAPTALDH1A1KMT2AMEN1
SCHEMBL8615210 0.86 TACR3 (0.44) KMT2AMEN1TACR3ACP1
SCHEMBL8617753 0.84 ACP1 (0.51) KMT2ASMN1; SMN2MEN1LMNAACP1
SCHEMBL8619389 0.83 TACR3 (0.41) MAPTALDH1A1TACR3ACP1
SCHEMBL8617739 0.83 ALDH1A1 (0.47) MAPTALDH1A1THRBLMNAL3MBTL1
SCHEMBL8615938 0.83 TACR3 (0.41) KMT2ATACR3ACP1
SCHEMBL8618234 0.83 RXFP1 (0.44) ALDH1A1LMNATACR3ACP1
SCHEMBL8620932 0.80 POLB (0.51) KMT2AMEN1TACR3ACP1

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