SCHEMBL28103276

SCHEMBL28103276

N#Cc1ccc(N2CCC(C=O)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HRH3 Q9Y5N1 9/20 0.39
▸ POLB P06746 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL27380663 0.81 ALOX5 (0.44) SIGMAR1
SCHEMBL27873898 0.81 NOTUM (0.36) KDM4ETP53POLB
SCHEMBL28103270 0.81 ALDH1A1 (0.34) HRH3
SCHEMBL27671224 0.80 ALOX5 (0.41) SIGMAR1
SCHEMBL28103547 0.78 ADRB2 (0.41) KDM4E
SCHEMBL28103613 0.77 MGLL (0.37) KDM4EPOLB
SCHEMBL28103503 0.77 NOTUM (0.40) HRH3
SCHEMBL27505117 0.77 DDB1 (0.31) HRH3
SCHEMBL28103624 0.77 LMNA (0.43) KDM4ETP53POLB
SCHEMBL28039321 0.74 ADRB1 (0.45) KCNH2

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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