SCHEMBL8944447

SCHEMBL8944447

CCOC(=O)c1cc2ccccc2nc1NC(CC)Cc1ccc(-c2ccccc2C(=N)NO)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.36
AGTR2 P50052 6/20 0.36
CNR2 P34972 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
TP53 P04637 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34

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
SCHEMBL8944331 0.86 AGTR1 (0.51) AGTR1AGTR2KDM4EMAPK1MME
SCHEMBL8944158 0.83 JMJD6 (0.39) AGTR1AGTR2TP53MAPK1
SCHEMBL6604852 0.81 AGTR2 (0.36) AGTR1AGTR2TP53MEN1KMT2A
SCHEMBL8944271 0.81 AGTR2 (0.36) AGTR1AGTR2KDM4EMEN1KMT2A
SCHEMBL8944450 0.79 LMNA (0.39) AGTR1AGTR2TP53KDM4E
SCHEMBL8944453 0.79 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL6610008 0.74 AGTR1 (0.39) AGTR1AGTR2LTB4R2TP53MME
SCHEMBL6611108 0.74 KDM4E (0.36) CNR2CDC25ACDC25BCDC25CKDM4E
SCHEMBL17998734 0.70 AGTR2 (0.57) AGTR1AGTR2LTB4R2TP53KDM4E
SCHEMBL6607829 0.70 BRS3 (0.36)

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