SCHEMBL18966067

SCHEMBL18966067

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ HSD11B1 P28845 5/20 0.36
▸ CTSS P25774 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MPL P40238 1/20 0.32
▸ CES1 P23141 1/20 0.32

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 0.86 TAS2R14 (0.46) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL18965951 0.81 TAS2R14 (0.45) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL11955140 0.77 CA2 (0.46) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL18753330 0.76 NOTUM (0.42) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL29426937 0.76 HSD11B1 (0.46) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL263917 0.76 HSD11B1 (0.46) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL3821590 0.75 TRPA1 (0.48) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL30867018 0.75 TRPA1 (0.48) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL20342924 0.74 NOTUM (0.41) TAS2R14P2RX7NOTUMHSD11B1CTSS
SCHEMBL173020 0.73 HSD11B1 (0.45) TAS2R14P2RX7NOTUMHSD11B1CTSS

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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