SCHEMBL8617119

SCHEMBL8617119

CC(C)(C)Oc1cccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.45
ABCG2 Q9UNQ0 3/20 0.45
ABCC1 P33527 2/20 0.44
ACP1 P24666 5/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL8614080 0.91 ABCB1 (0.42) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8617796 0.90 ACP1 (0.51) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8617840 0.89 LMNA (0.42) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8614857 0.89 ABCB1 (0.55) ABCB1ABCG2ACP1MEN1KMT2A
SCHEMBL8614954 0.87 ABCB1 (0.44) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8614315 0.86 KMT2A (0.49) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8617753 0.84 ACP1 (0.51) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8614778 0.83 ACP1 (0.43) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8618948 0.83 MEN1 (0.50) ABCB1ABCG2ABCC1ACP1MEN1
SCHEMBL8618615 0.83 ALDH1A1 (0.46) ABCB1ABCG2ABCC1ACP1MEN1

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