SCHEMBL8618686

SCHEMBL8618686

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ATM Q13315 1/20 0.49
TACR3 P29371 4/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL8619751 0.97 KMT2A (0.50) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8619672 0.92 KMT2A (0.50) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8619512 0.92 KMT2A (0.54) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8614158 0.91 KMT2A (0.55) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8613962 0.88 KMT2A (0.55) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8614059 0.85 KMT2A (0.56) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8614866 0.84 KMT2A (0.51) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8614865 0.82 KMT2A (0.49) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8615050 0.82 KMT2A (0.66) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8620924 0.81 DHODH (0.53) KMT2AMEN1ATMTACR3KDM4E

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