SCHEMBL8614059

SCHEMBL8614059

CCCOc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.54
GAA P10253 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
TACR3 P29371 2/20 0.51
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE10A Q9Y233 1/20 0.49
ALOX12 P18054 2/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 3/20 0.47

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
SCHEMBL8613962 0.95 KMT2A (0.55) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8614158 0.94 KMT2A (0.55) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8619512 0.93 KMT2A (0.54) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8615050 0.92 KMT2A (0.66) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8614866 0.89 KMT2A (0.51) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8614755 0.88 MEN1 (0.54) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8618106 0.88 KMT2A (0.54) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8620924 0.87 DHODH (0.53) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8619751 0.87 KMT2A (0.50) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL8617742 0.86 TACR3 (0.63) KMT2AMEN1ALDH1A1KDM4EGAA

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