SCHEMBL9846085

SCHEMBL9846085

CCc1cc(NCc2cc(C)cc(C)c2)c(=O)[nH]c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GBA1 P04062 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9846124 0.81 RPS6KB1 (0.40) POLBMAPTKDM4EGAAHPGD
SCHEMBL9432629 0.78 MEN1 (0.47) MAPTKDM4EKMT2A
SCHEMBL27337641 0.77 POLB (0.49) POLBMAPTKDM4EGAAHPGD
SCHEMBL9278136 0.74 MAPT (0.51) POLBMAPTKDM4EGAAPDE3B
SCHEMBL9283645 0.74 MAPT (0.48) POLBMAPTKDM4EGAAPDE3B
SCHEMBL9168694 0.73 PDE3B (0.42) MAPTKDM4EGAAPDE3BPDE3A
SCHEMBL9164330 0.73 MAPT (0.41) POLBMAPTKDM4EGAAHPGD
SCHEMBL9170296 0.72 KDM4E (0.44) POLBMAPTKDM4EGAAPDE3B
SCHEMBL9846165 0.72 PDE3B (0.41) MAPTKDM4EGAAPDE3BPDE3A
SCHEMBL9846139 0.72 CYP2C9 (0.37) MAPTKDM4EGAAHCAR2PDE3B

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed