SCHEMBL8617196

SCHEMBL8617196

N=C(N)NC(=O)c1cc(-c2cccc(OCOC3CCCC3)c2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 11/20 0.48
MEN1 O00255 10/20 0.48
TDP1 Q9NUW8 4/20 0.48
DHODH Q02127 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 3/20 0.47
ALOX12 P18054 3/20 0.47
RAB9A P51151 2/20 0.47
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
HPGD P15428 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL8617827 0.88 ALDH1A1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8614773 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8618610 0.84 LMNA (0.63) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8616980 0.82 KMT2A (0.58) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8617125 0.81 TACR3 (0.42) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8614851 0.80 MEN1 (0.67) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8618625 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8617999 0.79 DHODH (0.57) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8614314 0.79 KMT2A (0.65) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL8617116 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ELMNASMN1; SMN2GAA

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