SCHEMBL8614769

SCHEMBL8614769

N=C(NC=O)Nc1cc(-c2cccc(OCCCCOC3CC3)c2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
ACP1 P24666 10/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 2/20 0.40
RAB9A P51151 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRK1 P41145 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
SCHEMBL8617199 0.88 ACP1 (0.43) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8614778 0.87 ACP1 (0.43) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8618628 0.83 ALDH1A1 (0.47) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8617830 0.82 ACP1 (0.46) ACP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8618615 0.82 ALDH1A1 (0.46) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8614857 0.81 ABCB1 (0.55) ACP1ALDH1A1LMNAKDM4EGAA
SCHEMBL8616988 0.79 KMT2A (0.47) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8617119 0.78 ABCB1 (0.45) DHODHACP1ALDH1A1LMNAKDM4E
SCHEMBL8617796 0.78 ACP1 (0.51) ACP1ALDH1A1LMNAKDM4EGAA
SCHEMBL8614315 0.78 KMT2A (0.49) DHODHACP1ALDH1A1LMNAKDM4E

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