SCHEMBL9779980

SCHEMBL9779980

COc1cccc(N2CC(=O)N(C)C(=O)N2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.49
MGLL Q99685 1/20 0.46
ADRB1 P08588 1/20 0.44
CYP1A2 P05177 1/20 0.43
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
DRD2 P14416 2/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 1/20 0.40
HSD17B2 P37059 1/20 0.39
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
NTRK2 Q16620 1/20 0.39
MIF P14174 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
SCHEMBL9780007 0.83 POLB (0.49) MAPTMGLLADRB1MEN1KMT2A
SCHEMBL9779956 0.82 ALOX5 (0.53) ALOX5MAPTMGLLADRB1CYP1A2
SCHEMBL9780008 0.82 ALOX5 (0.55) ALOX5MAPTMGLLADRB1MEN1
SCHEMBL10413890 0.81 ADRA2C (0.45) ALOX5MAPTMEN1KMT2A
SCHEMBL9780040 0.81 ALOX5 (0.52) ALOX5MGLLMEN1KMT2AALKBH5
SCHEMBL9779936 0.81 MEN1 (0.44) ALOX5MAPTMEN1KMT2ADRD2
SCHEMBL9779976 0.81 ALOX5 (0.51) ALOX5MAPTMGLLMEN1KMT2A
SCHEMBL9779977 0.81 FAAH (0.42) ALOX5MGLL
SCHEMBL9779946 0.80 ALOX5 (0.59) ALOX5MEN1KMT2A
SCHEMBL9779986 0.79 G6PD (0.47) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985427-A LIPOXYGENASE INHIBITORS GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
EP-0340030-A2 Triazine derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP disclosed