SCHEMBL9024448

SCHEMBL9024448

Cc1nc(NCc2ccc(-c3ccccc3C(=O)O)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.52
PTGS2 P35354 11/20 0.52
LTB4R2 Q9NPC1 1/20 0.45
PTGS1 P23219 1/20 0.44
PPARG P37231 2/20 0.44
AGTR1 P30556 1/20 0.44
BDKRB1 P46663 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL9024952 0.92 AGTR2 (0.48) AGTR2PTGS2LTB4R2PPARGAGTR1
Water SCHEMBL9023803 0.91 AGTR2 (0.48) AGTR2PTGS2LTB4R2PPARGAGTR1
Water SCHEMBL9023809 0.91 AGTR2 (0.48) AGTR2PTGS2LTB4R2PPARGAGTR1
SCHEMBL9024615 0.90 BDKRB1 (0.52) PTGS2BDKRB1
SCHEMBL9024454 0.85 PTGS2 (0.49) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL9024837 0.83 AGTR2 (0.60) AGTR2PTGS2LTB4R2PPARGAGTR1
SCHEMBL9024959 0.77 PTGS2 (0.41) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL9024201 0.77 PTGS2 (0.45) AGTR2PTGS2AGTR1TP53MAPT
Water SCHEMBL9024199 0.76 PTGS2 (0.44) AGTR2PTGS2AGTR1TP53MAPT
SCHEMBL8373870 0.75 GPR39 (0.55) PTGS2TP53MAPTADORA2A

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 8 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
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed