SCHEMBL9015950

SCHEMBL9015950

Cn1c(=O)n(CC(=O)O)c(=O)n(-c2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2Br)c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ THRB P10828 10/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ THRA P10827 8/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PLA2G7 Q13093 3/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL8318657 0.92 LMNA (0.35) PTGDR2THRBHIF1APLA2G7SMN1; SMN2
SCHEMBL8322789 0.87 MEN1 (0.41) PTGDR2THRBAKR1B1THRAHIF1A
SCHEMBL8318204 0.84 SMN1; SMN2 (0.51) FFAR1SMN1; SMN2
SCHEMBL9015972 0.84 FFAR1 (0.32) THRBTHRAHIF1APLA2G7FFAR1
SCHEMBL8318409 0.84 LMNA (0.36) PTGDR2THRBHIF1APLA2G7TLR7
SCHEMBL8321468 0.81 MAPK1 (0.33) THRBTHRAPLA2G7TLR7
SCHEMBL8319192 0.81 BCAT2 (0.36) PLA2G7
SCHEMBL8320812 0.79 MEN1 (0.38) PLA2G7SMN1; SMN2
SCHEMBL8326574 0.79 GRIN1 (0.37) PTGDR2PLA2G7SMN1; SMN2
SCHEMBL8316048 0.78 SMN1; SMN2 (0.47) FFAR1SMN1; SMN2

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-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 — — US disclosed
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