SCHEMBL8617848

SCHEMBL8617848

CCCCCOc1cccc2c(C(=O)NC(=N)N)cc(-c3ccccc3C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TACR3 P29371 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MAPT P10636 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 2/20 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
SCHEMBL8617187 0.97 KMT2A (0.43) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8614068 0.97 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8617400 0.91 MEN1 (0.46) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8615143 0.89 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8617983 0.86 TACR3 (0.41) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8613395 0.86 PDE10A (0.51) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8617121 0.86 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8620382 0.84 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8620012 0.84 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8618896 0.83 TACR3 (0.41) MEN1KMT2AHPGDALDH1A1KDM4E

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