SCHEMBL30149873

SCHEMBL30149873

COc1ccc(-c2nc(N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 11/20 1.00
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ GALR2 O43603 2/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ GALR1 P47211 1/20 0.46

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
SCHEMBL29069335 0.94 CHRNA7 (0.88) CHRNA7KCNH2SCN5ASCN9ADHFR
SCHEMBL30149855 0.88 CHRNA7 (1.00) CHRNA7MAPTGALR2MEN1KMT2A
SCHEMBL28929968 0.86 CHRNA7 (1.00) CHRNA7MAPTGALR2MEN1KMT2A
SCHEMBL28929970 0.85 CHRNA7 (1.00) CHRNA7MAPT
SCHEMBL28929971 0.83 CHRNA7 (1.00) CHRNA7MAPTKDM4ENPC1JAK2
SCHEMBL28929963 0.82 CHRNA7 (0.78) CHRNA7GALR2GALR1
SCHEMBL28929972 0.81 CHRNA7 (1.00) CHRNA7MAPTGALR2MEN1KMT2A
SCHEMBL28929969 0.81 CHRNA7 (1.00) CHRNA7MAPTKDM4ENPC1JAK2
SCHEMBL30149861 0.81 CHRNA7 (1.00) CHRNA7ALDH1A1GALR2MEN1KMT2A
SCHEMBL31220986 0.81 CHRNA7 (0.67) CHRNA7MAPTKDM4ENPC1JAK2

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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