SCHEMBL8944228

SCHEMBL8944228

CCCC(Cc1ccc(-c2ccccc2C(=N)NO)cc1)C(=O)Nc1sccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BDKRB1 P46663 4/20 0.38
POLB P06746 1/20 0.38
SLC6A3 Q01959 3/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 2/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
CNR2 P34972 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
SCHEMBL8547975 0.79 KDM4E (0.39) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL8550850 0.79 KDM4E (0.39) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL8944237 0.71 LTB4R2 (0.62) LTB4R2AGTR1
SCHEMBL8550193 0.71 MME (0.37) AGTR1
SCHEMBL8880408 0.69 BDKRB1 (0.47) BDKRB1SLC6A3LTB4R2SLC6A4AGTR1
SCHEMBL8548947 0.68 LTB4R2 (0.41) KDM4ENPC1RAB9AKMT2ABDKRB1
SCHEMBL26503419 0.68 NPC1 (0.62) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL8877960 0.67 BDKRB1 (0.39) BDKRB1SLC6A3LTB4R2SLC6A4AGTR1
SCHEMBL9088926 0.67 BRS3 (0.38) KDM4ERAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8876246 0.67 BDKRB1 (0.40) BDKRB1SLC6A3LTB4R2SLC6A4AGTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed