SCHEMBL18965951

SCHEMBL18965951

BC(B)(O)c1cccc(C(F)(F)F)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ HSD11B1 P28845 6/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL6630838 0.84 TAS2R14 (0.46) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL18966067 0.81 TAS2R14 (0.39) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL11955140 0.76 CA2 (0.46) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL28702822 0.75 TAS2R14 (0.41) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL31156210 0.75 TAS2R14 (0.41) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL911639 0.74 TRPA1 (0.56) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL18753330 0.74 NOTUM (0.42) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL3821590 0.73 TRPA1 (0.48) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL30867018 0.73 TRPA1 (0.48) TAS2R14HSD11B1NOTUMCTSSALDH1A1
SCHEMBL20342924 0.72 NOTUM (0.41) TAS2R14HSD11B1NOTUMCTSSALDH1A1

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
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 — — EP disclosed
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