SCHEMBL8614015

SCHEMBL8614015

CCOc1ccc2c(C(=O)NC(N)=Nc3ccccc3)ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
SCN2A Q99250 2/20 0.43
SCN5A Q14524 1/20 0.42
PLAU P00749 1/20 0.41
NPC1 O15118 3/20 0.40
GRM4 Q14833 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38
SCNN1A P37088 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8615891 0.92 KDM4E (0.46) ADRA2ASCN2ASCN5APLAUSMN1; SMN2
SCHEMBL8616502 0.90 KDM4E (0.48) SCN2ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8612700 0.86 KDM4E (0.45) SCN2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL8617741 0.84 SCN2A (0.44) SCN2ASCN5ANPC1SMN1; SMN2LMNA
SCHEMBL8615213 0.83 RAB9A (0.42) SCN2ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8615943 0.83 RAB9A (0.45) SCN2ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8618237 0.82 ALK (0.43) PLAUNPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8619393 0.82 SMN1; SMN2 (0.46) SCN2ASCN5ANPC1SMN1; SMN2LMNA
SCHEMBL8620947 0.81 KDM4E (0.60) SCN2APLAUNPC1SMN1; SMN2LMNA
SCHEMBL8619044 0.81 CTSV (0.40) SCN2ASCN5ANPC1SMN1; SMN2LMNA

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