SCHEMBL8613894

SCHEMBL8613894

NC(=Nc1ccccc1)NC(=O)c1ccnc2c(NC(=O)C3CCCC3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
WNT3 P56703 1/20 0.40
CETP P11597 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PLAU P00749 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 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
SCHEMBL8619003 0.86 SLC40A1 (0.46) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8613222 0.82 SLC40A1 (0.48) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8618769 0.81 ALDH1A1 (0.47) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8616000 0.80 KDM4E (0.58) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8616703 0.80 PIK3CA (0.47) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8620942 0.79 HDAC6 (0.42) SLC40A1HDAC3HDAC1HDAC2ADORA2A
SCHEMBL8619905 0.79 SMN1; SMN2 (0.42) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8613492 0.79 ADORA2A (0.44) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8617911 0.77 SMN1; SMN2 (0.52) SLC40A1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8617725 0.76 PDE4A (0.46) ADORA2AALDH1A1PLAUSMN1; SMN2

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