SCHEMBL8615662

SCHEMBL8615662

N=C(N)NC(=O)c1cc(-c2ccccc2[N+](=O)[O-])nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TACR3 P29371 2/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
PAX8 Q06710 1/20 0.43
CYP3A4 P08684 1/20 0.43
GPR55 Q9Y2T6 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
SCHEMBL8617811 0.83 MAPT (0.71) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL8616412 0.83 TACR3 (0.57) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL8617803 0.83 MEN1 (0.52) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL8613898 0.83 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1CACNA1B
SCHEMBL8617246 0.83 MAPT (0.59) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL1900393 0.82 ALDH1A1 (0.65) MAPTALDH1A1LMNAGAAKMT2A
Hydrochloric Acid SCHEMBL8619180 0.82 MAPT (0.69) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL8620889 0.82 HTT (0.61) MAPTALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8614019 0.82 TACR3 (0.56) MAPTALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL8619430 0.81 HTT (0.60) MAPTALDH1A1LMNAKMT2AMEN1

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