SCHEMBL28126278

SCHEMBL28126278

CC(C)(C)OC1CN(Cc2ccc(Br)cc2C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.40
▸ GPR183 P32249 3/20 0.40
▸ BTK Q06187 1/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ DDR1 Q08345 1/20 0.35
▸ P2RX7 Q99572 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SRC P12931 1/20 0.33

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
SCHEMBL28125976 0.83 S1PR1 (0.36) KDM4ETDP1MEN1KMT2A
SCHEMBL16794015 0.79 BTK (0.60) BTKP2RX7
SCHEMBL28238065 0.76 NR1H2 (0.42) NR1H2GPR183DDR1
SCHEMBL28238068 0.74 BTK (0.45) BTK
SCHEMBL24192812 0.73 NR1H2 (0.47) NR1H2GPR183DDR1KDM4E
SCHEMBL18580987 0.71 GPR183 (0.48) NR1H2GPR183DDR1KDM4EKMT2A
SCHEMBL2800197 0.71 PDE3B (0.55) NR1H2GPR183KDM4E
SCHEMBL24566187 0.71 NR1H2 (0.61) NR1H2DDR1P2RX7KDM4ETDP1
SCHEMBL22462793 0.69 USP30 (0.45) NR1H2KDM4ETDP1
SCHEMBL30272631 0.69 USP30 (0.45) NR1H2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096274-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-28 — — CN disclosed
CN-108947913-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-07 — — CN disclosed
CN-106459002-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2018-08-21 — — CN disclosed
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 — — CN disclosed
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