SCHEMBL8614866

SCHEMBL8614866

CCC(C)CCOc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.51
TACR3 P29371 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR2 P21452 2/20 0.42

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
SCHEMBL8614059 0.89 KMT2A (0.56) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8613962 0.88 KMT2A (0.55) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614158 0.87 KMT2A (0.55) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8615050 0.87 KMT2A (0.66) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8619512 0.86 KMT2A (0.54) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8620924 0.86 DHODH (0.53) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614768 0.85 MEN1 (0.48) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8619751 0.85 KMT2A (0.50) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8617527 0.85 KMT2A (0.50) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8618686 0.84 KMT2A (0.49) KMT2AMEN1ATMTACR3SMN1; SMN2

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