SCHEMBL8614828

SCHEMBL8614828

CCC(C)(C)COc1cccc2nc(-c3ccccc3C)cc(C(=O)NC(=N)N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TACR3 P29371 1/20 0.41
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ATM Q13315 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAP4K2 Q12851 1/20 0.35
PIK3CD O00329 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8615338 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8618517 0.88 KMT2A (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8617121 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8613229 0.86 TACR3 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8615485 0.86 TACR3 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8619909 0.85 TACR3 (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8617961 0.83 TACR3 (0.40) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8620874 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8618128 0.81 TACR3 (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8619971 0.81 TACR3 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E

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