SCHEMBL8613223

SCHEMBL8613223

CC(C)CC(=O)Nc1ccc2nccc(C(=O)NC(N)=Nc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NTSR1 P30989 1/20 0.40
F2R P25116 2/20 0.40

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
SCHEMBL8619427 0.89 MCHR1 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8617772 0.86 RAB9A (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8614062 0.81 SCN2A (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8613854 0.80 SCN2A (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8616642 0.79 KDM4E (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8613677 0.79 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8616496 0.79 KDM4E (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8617935 0.79 RAB9A (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8613484 0.79 RAB9A (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL8615687 0.79 RAB9A (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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