SCHEMBL8617199

SCHEMBL8617199

N=C(NC=O)Nc1cc(-c2cccc(OCOC3CCCC3)c2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 13/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL8614769 0.88 DHODH (0.45) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8617830 0.88 ACP1 (0.46) ACP1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8614778 0.85 ACP1 (0.43) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8618615 0.84 ALDH1A1 (0.46) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8616988 0.82 KMT2A (0.47) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8617128 0.81 ACP1 (0.35) ACP1ALDH1A1KDM4EHTTMEN1
SCHEMBL8614857 0.81 ABCB1 (0.55) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8618628 0.80 ALDH1A1 (0.47) ACP1ALDH1A1KDM4ELMNAGAA
SCHEMBL8618001 0.79 DHODH (0.46) ACP1ALDH1A1DHODHMEN1KMT2A
SCHEMBL8617119 0.78 ABCB1 (0.45) ACP1ALDH1A1KDM4ELMNAGAA

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