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Sugi Predict / Compounds / SCHEMBL27776446

SCHEMBL27776446

SCHEMBL27776446

CC(CO)n1ccc2c(NC(=O)Cc3cccc(C(F)(F)F)c3)c(Cl)ccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.66
▸ NTRK1 P04629 7/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL306906 1.00 P2RX7 (0.66) P2RX7NTRK1MEN1MAPTKMT2A
SCHEMBL306523 0.91 P2RX7 (0.74) P2RX7NTRK1MEN1MAPTKMT2A
SCHEMBL306808 0.89 P2RX7 (0.63) P2RX7NTRK1LMNA
SCHEMBL27776437 0.89 P2RX7 (0.63) P2RX7NTRK1LMNA
SCHEMBL308147 0.86 P2RX7 (0.59) P2RX7NTRK1
SCHEMBL27776464 0.86 P2RX7 (0.59) P2RX7NTRK1
SCHEMBL305888 0.85 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL305887 0.85 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL307164 0.85 P2RX7 (0.73) P2RX7NTRK1
SCHEMBL307645 0.85 P2RX7 (0.73) P2RX7NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 — — CN claimed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 — — CN disclosed
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