SCHEMBL27529652

SCHEMBL27529652

N#Cc1ccc(N2CC[CH]C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
GRM2 Q14416 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
CYP11B2 P19099 2/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
FNTA P49354 1/20 0.35

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
SCHEMBL27947502 0.76 KDM4E (0.46) KDM4ECYP11B2OPRM1OPRL1
SCHEMBL7422542 0.74 POLB (0.49) KDM4ETP53POLBHDAC1HDAC8
SCHEMBL2713004 0.73 KDM4E (0.49) KDM4ETP53POLBHDAC1HDAC8
SCHEMBL16789935 0.72 KDM4E (0.52) KDM4ETP53POLBELANECHRNA10
SCHEMBL7421728 0.71 ALDH1A1 (0.57) TP53POLB
SCHEMBL23299517 0.70 GRM2 (0.43) KDM4ETP53POLBHDAC1HDAC8
SCHEMBL7406708 0.70 HTR1A (0.49) KDM4ETP53POLBHDAC1HDAC8
SCHEMBL4586702 0.70 ALDH1A1 (0.51) KDM4ETP53POLB
SCHEMBL20639714 0.69 SLC6A2 (0.47) KDM4ETP53POLBELANECTSG
SCHEMBL7282701 0.69 KDM4E (0.45) KDM4ETP53POLBKCNH2

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-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed