SCHEMBL8614768

SCHEMBL8614768

CC(CCOc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1)OC1CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 2/20 0.48
TACR3 P29371 5/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL8614866 0.85 KMT2A (0.51) MEN1KMT2AATMTACR3MAPT
SCHEMBL8614059 0.83 KMT2A (0.56) MEN1KMT2AATMTACR3MAPT
SCHEMBL8615050 0.83 KMT2A (0.66) MEN1KMT2AATMTACR3MAPT
SCHEMBL8620924 0.82 DHODH (0.53) MEN1KMT2AATMTACR3MAPT
SCHEMBL8613962 0.82 KMT2A (0.55) MEN1KMT2AATMTACR3MAPT
SCHEMBL8619751 0.82 KMT2A (0.50) MEN1KMT2AATMTACR3MAPT
SCHEMBL8614158 0.82 KMT2A (0.55) MEN1KMT2AATMTACR3MAPT
SCHEMBL8620364 0.81 MEN1 (0.52) MEN1KMT2AATMTACR3MAPT
SCHEMBL8619512 0.81 KMT2A (0.54) MEN1KMT2AATMTACR3MAPT
SCHEMBL8618686 0.81 KMT2A (0.49) MEN1KMT2AATMTACR3MAPT

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