SCHEMBL28929967

SCHEMBL28929967

COc1ccc(-c2nc(C#Cc3ccc(C)cc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 11/20 0.76
▸ GALR2 O43603 2/20 0.43
▸ DHFR P00374 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GALR1 P47211 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL28929961 0.92 CHRNA7 (0.76) CHRNA7GALR2DHFRGALR1PTGS2
SCHEMBL28929959 0.91 CHRNA7 (0.74) CHRNA7GALR2MEN1KMT2A
SCHEMBL28929972 0.86 CHRNA7 (1.00) CHRNA7GALR2DHFRMEN1MAPT
SCHEMBL30149846 0.85 CHRNA7 (0.72) CHRNA7GALR2DHFRRORC
SCHEMBL28929982 0.85 CHRNA7 (0.72) CHRNA7GALR2DHFRRORC
SCHEMBL28929980 0.83 CHRNA7 (0.74) CHRNA7GALR2DHFRRORC
SCHEMBL28929963 0.83 CHRNA7 (0.78) CHRNA7GALR2GALR1RORC
SCHEMBL30149859 0.82 CHRNA7 (0.73) CHRNA7GALR2DHFR
SCHEMBL28929968 0.81 CHRNA7 (1.00) CHRNA7GALR2DHFRMEN1MAPT
SCHEMBL30149855 0.79 CHRNA7 (1.00) CHRNA7GALR2DHFRMEN1MAPT

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
CN-115554302-A Application of 6-phenyl-triazine-2-amine compound in preparation of medicine for improving cognitive disorder of nervous system 北京大学 2023-01-03 — — CN disclosed
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