SCHEMBL8617840

SCHEMBL8617840

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ACP1 P24666 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
DHODH Q02127 1/20 0.42
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ABCC1 P33527 1/20 0.41
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
MAPT P10636 3/20 0.39
ALOX12 P18054 3/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
TDP1 Q9NUW8 4/20 0.38

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
SCHEMBL8617119 0.89 ABCB1 (0.45) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8615219 0.86 ABCG2 (0.42) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8614080 0.86 ABCB1 (0.42) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8617796 0.85 ACP1 (0.51) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8614857 0.84 ABCB1 (0.55) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8614954 0.82 ABCB1 (0.44) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8618615 0.82 ALDH1A1 (0.46) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8614315 0.82 KMT2A (0.49) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8612617 0.81 TACR3 (0.35) LMNAACP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8614164 0.81 ALDH1A1 (0.45) LMNAACP1ALDH1A1KDM4ESMN1; 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