SCHEMBL8617435

SCHEMBL8617435

CNC(=Nc1ccccc1)NC(=O)c1ccnc2cc(OC)cc(OC)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NUDT1 P36639 2/20 0.37
STAT6 P42226 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
PDGFRA P16234 3/20 0.35
KIT P10721 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SRC P12931 1/20 0.35
TGFBR1 P36897 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
SCHEMBL8618668 0.87 SMO (0.43) KDM4EMAPTSMN1; SMN2STAT6HIF1A
Hydrochloric Acid SCHEMBL8615174 0.86 SMO (0.42) KDM4EMAPTSMN1; SMN2STAT6HIF1A
SCHEMBL8614057 0.81 MAPT (0.38) KDM4EMAPTSMN1; SMN2NUDT1STAT6
SCHEMBL8620636 0.73 NPC1 (0.49) KDM4ESMN1; SMN2STAT6HTTHIF1A
SCHEMBL8619835 0.73 SMO (0.49) SMN1; SMN2HTTNPSR1LMNAALDH1A1
SCHEMBL8616307 0.71 SMO (0.43) KDM4EMAPTSMN1; SMN2HTTLMNA
SCHEMBL8616502 0.70 KDM4E (0.48) KDM4EMAPTSMN1; SMN2HTTHIF1A
SCHEMBL8617949 0.69 SMO (0.46) KDM4ESMN1; SMN2STAT6HIF1ALMNA
SCHEMBL8620870 0.69 SRC (0.47) NUDT1LMNAKDRAURKALCK
SCHEMBL8614046 0.69 SMO (0.49) SMN1; SMN2HTTNPSR1LMNAALDH1A1

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