SCHEMBL8616980

SCHEMBL8616980

CC(C)COCOc1cccc(-c2cc(C(=O)NC(=N)N)c3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.58
MEN1 O00255 8/20 0.58
LMNA P02545 6/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 4/20 0.51
DHODH Q02127 3/20 0.51
HPGD P15428 2/20 0.49
MAPT P10636 3/20 0.49
ALOX12 P18054 3/20 0.49
RAB9A P51151 2/20 0.49
AGTR1 P30556 1/20 0.49
OPRK1 P41145 1/20 0.49
TP53 P04637 2/20 0.48
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 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
SCHEMBL8618610 0.90 LMNA (0.63) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8618625 0.88 ALDH1A1 (0.65) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8614161 0.85 LMNA (0.61) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8614314 0.85 KMT2A (0.65) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8614851 0.83 MEN1 (0.67) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8614950 0.82 KMT2A (0.54) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8617196 0.82 ALDH1A1 (0.54) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8614077 0.81 KDM4E (0.53) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8617116 0.81 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8617058 0.80 LMNA (0.57) KMT2AMEN1LMNAALDH1A1KDM4E

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