SCHEMBL8105326

SCHEMBL8105326

CCCC(F)(F)c1nc(CC)n(Cc2ccc(Cc3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
DHFR P00374 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
PLA2G2A P14555 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
SCHEMBL8109183 0.93 PPARG (0.43) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8103395 0.92 AGTR1 (0.41)
SCHEMBL8109330 0.91 AGTR1 (0.42)
SCHEMBL8105392 0.91 AGTR1 (0.40) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8109295 0.90 PPARG (0.37) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8104853 0.89 CA1 (0.37) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8104852 0.89 CA1 (0.37) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8095759 0.89 CA1 (0.35) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL8109243 0.89 AGTR1 (0.41)
SCHEMBL8109220 0.88 PPARG (0.36) CA1CA2CA9SMN1; SMN2HTT

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
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed