SCHEMBL28835067

SCHEMBL28835067

COc1cccc(N2CCC(C=O)N2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL27743313 0.81 ALOX5 (0.48) ALOX5ADRB1MAPTKMT2ACYP1A2
SCHEMBL28103502 0.80 ALOX5 (0.47) ALOX5MAPTMGLLKMT2AMEN1
SCHEMBL27873897 0.80 ALOX5 (0.47) ALOX5NPC1MGLLKMT2AMEN1
SCHEMBL27671224 0.79 ALOX5 (0.41) ALOX5ADRB1NPC1KMT2AMEN1
SCHEMBL28103275 0.77 PRMT6 (0.37) ALOX5
SCHEMBL27873899 0.76 SLC6A2 (0.38) ALOX5MGLLDRD2
SCHEMBL28103298 0.73 DRD2 (0.48) ADRB1MAPTMGLLKMT2AMEN1
SCHEMBL28158046 0.73 FFAR4 (0.34) ALOX5ADRB1FFAR4KMT2ATSHR
SCHEMBL28039321 0.72 ADRB1 (0.45) ADRB1MAPTKCNH2
SCHEMBL27380663 0.70 ALOX5 (0.44) ALOX5ADRB1KMT2AMEN1

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-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 — — CN disclosed
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