SCHEMBL9024837

SCHEMBL9024837

Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)nc(C(F)(F)F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.60
USP1 O94782 1/20 0.47
WDR48 Q8TAF3 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BDKRB1 P46663 3/20 0.46
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL9025759 0.85 USP1 (0.45) AGTR2USP1WDR48KDM4EMEN1
SCHEMBL9024448 0.83 AGTR2 (0.52) AGTR2MAPTBDKRB1LTB4R2PPARG
SCHEMBL9024952 0.80 AGTR2 (0.48) AGTR2BDKRB1LTB4R2PPARGAGTR1
Water SCHEMBL9023803 0.79 AGTR2 (0.48) AGTR2BDKRB1LTB4R2PPARGAGTR1
Water SCHEMBL9023809 0.79 AGTR2 (0.48) AGTR2BDKRB1LTB4R2PPARGAGTR1
SCHEMBL9385126 0.78 AGTR2 (0.69) AGTR2USP1WDR48MEN1KMT2A
SCHEMBL9387315 0.77 AGTR2 (0.68) AGTR2USP1WDR48MEN1KMT2A
SCHEMBL9384503 0.75 AGTR2 (0.62) AGTR2USP1WDR48MEN1KMT2A
SCHEMBL3058636 0.75 CD38 (0.56) HTTBDKRB1LTB4R2
SCHEMBL7323049 0.75 AGTR2 (1.00) AGTR2USP1WDR48BDKRB1LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP claimed
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP claimed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US claimed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO claimed
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed