SCHEMBL8618650

SCHEMBL8618650

CCOc1cccc2nc(-c3ccccc3)cc(C(=O)NC(=N)N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.43
PDE10A Q9Y233 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL8620626 0.89 ALDH1A1 (0.48) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8615338 0.87 MEN1 (0.46) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8620680 0.84 ALDH1A1 (0.54) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8618932 0.83 PTGER4 (0.55) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8613359 0.82 MEN1 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8617715 0.82 MEN1 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8617855 0.81 DHODH (0.47) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8619780 0.81 ADORA3 (0.47) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8616258 0.81 MEN1 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8616592 0.81 MEN1 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2HPGD

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