SCHEMBL8613772

SCHEMBL8613772

CCC(C)c1cccc2c(C(=O)NC(N)=Nc3ccccc3)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.39
ADORA2A P29274 1/20 0.38
SCN2A Q99250 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
SCN5A Q14524 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
SCNN1A P37088 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RPS6KB1 P23443 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
STAT6 P42226 1/20 0.37

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
SCHEMBL8617422 0.92 SLC40A1 (0.38) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8615876 0.91 RPS6KB1 (0.38) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8620689 0.84 MEN1 (0.41) SLC40A1ADORA2ASCN2ASMN1; SMN2RAB9A
SCHEMBL8613492 0.82 ADORA2A (0.44) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8615118 0.81 SLC40A1 (0.48) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8616000 0.81 KDM4E (0.58) SLC40A1ADORA2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8616703 0.81 PIK3CA (0.47) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8618769 0.80 ALDH1A1 (0.47) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL8619905 0.80 SMN1; SMN2 (0.42) SLC40A1ADORA2ASCN2ASMN1; SMN2SCN5A
SCHEMBL19905328 0.79 SLC40A1 (0.53) SLC40A1RAB9ANPC1KDM4EL3MBTL1

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